Try beta.chemspider
5-(2-Methoxyphenyl)-2-methyl-N-(3,4,5-trimethoxyphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CN1C(=CC(=NS1(=O)=O)c2ccccc2OC)C(=O)Nc3cc(c(c(c3)OC)OC)OC
InChI=1S/C21H23N3O7S/c1-24-16(12-15(23-32(24,26)27)14-8-6-7-9-17(14)28-2)21(25)22-13-10-18(29-3)20(31-5)19(11-13)30-4/h6-12H,1-5H3,(H,22,25)
WFNJSZPFSPTRAH-UHFFFAOYSA-N
CSID:13145862, http://www.chemspider.com/Chemical-Structure.13145862.html (accessed 10:31, May 8, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 642.84 (Adapted Stein & Brown method) Melting Pt (deg C): 279.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.58E-015 (Modified Grain method) Subcooled liquid VP: 5.53E-012 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.01806 log Kow used: 5.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10186 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.35E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.885E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.67 (KowWin est) Log Kaw used: -14.418 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.088 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2656 Biowin2 (Non-Linear Model) : 0.9997 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8926 (months ) Biowin4 (Primary Survey Model) : 3.6958 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3043 Biowin6 (MITI Non-Linear Model): 0.0224 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0637 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.37E-010 Pa (5.53E-012 mm Hg) Log Koa (Koawin est ): 20.088 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.07E+003 Octanol/air (Koa) model: 3.01E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.8322 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.576 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.114E+004 Log Koc: 4.709 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.667 (BCF = 4648) log Kow used: 5.67 (estimated) Volatilization from Water: Henry LC: 9.35E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.345E+013 hours (5.605E+011 days) Half-Life from Model Lake : 1.467E+014 hours (6.114E+012 days) Removal In Wastewater Treatment: Total removal: 90.08 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.33 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.79e-005 1.14 1000 Water 3.4 1.44e+003 1000 Soil 56.8 2.88e+003 1000 Sediment 39.8 1.3e+004 0 Persistence Time: 4.61e+003 hr
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