Try beta.chemspider
N-[4-(3-Ethyl-2,6-dioxo-3-piperidinyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
CCC1(CCC(=O)NC1=O)c2ccc(cc2)NC(=O)Cn3c(=O)c4ccccc4nn3
InChI=1S/C22H21N5O4/c1-2-22(12-11-18(28)24-21(22)31)14-7-9-15(10-8-14)23-19(29)13-27-20(30)16-5-3-4-6-17(16)25-26-27/h3-10H,2,11-13H2,1H3,(H,23,29)(H,24,28,31)
DAWOETWPFHWRNR-UHFFFAOYSA-N
CSID:17489447, http://www.chemspider.com/Chemical-Structure.17489447.html (accessed 03:18, Apr 25, 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) = 1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 808.93 (Adapted Stein & Brown method) Melting Pt (deg C): 349.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.63E-020 (Modified Grain method) Subcooled liquid VP: 1.86E-016 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): 105.9 log Kow used: 1.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 95.092 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.892E-022 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (KowWin est) Log Kaw used: -19.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.933 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5741 Biowin2 (Non-Linear Model) : 0.1214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0059 (months ) Biowin4 (Primary Survey Model) : 3.2946 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1370 Biowin6 (MITI Non-Linear Model): 0.0025 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0971 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): 2.48E-014 Pa (1.86E-016 mm Hg) Log Koa (Koawin est ): 20.933 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E+008 Octanol/air (Koa) model: 2.1E+008 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 = 57.4710 E-12 cm3/molecule-sec Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.233 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 6423 Log Koc: 3.808 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 = 0.508 (BCF = 3.223) log Kow used: 1.57 (estimated) Volatilization from Water: Henry LC: 1.06E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.131E+018 hours (4.713E+016 days) Half-Life from Model Lake : 1.234E+019 hours (5.142E+017 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.000143 4.47 1000 Water 33.1 1.44e+003 1000 Soil 66.9 2.88e+003 1000 Sediment 0.0885 1.3e+004 0 Persistence Time: 1.54e+003 hr
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