Try beta.chemspider
N-{(Z)-(Benzoylamino)[(4,6,8-trimethyl-2-quinazolinyl)amino]methylene}benzamide
Cc1cc(c2c(c1)c(nc(n2)N/C(=N/C(=O)c3ccccc3)/NC(=O)c4ccccc4)C)C
InChI=1S/C26H23N5O2/c1-16-14-17(2)22-21(15-16)18(3)27-25(28-22)31-26(29-23(32)19-10-6-4-7-11-19)30-24(33)20-12-8-5-9-13-20/h4-15H,1-3H3,(H2,27,28,29,30,31,32,33)
ASTWLHJVRDFWOC-UHFFFAOYSA-N
CSID:3008337, http://www.chemspider.com/Chemical-Structure.3008337.html (accessed 12:00, Apr 24, 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) = 4.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 679.53 (Adapted Stein & Brown method) Melting Pt (deg C): 296.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.56E-016 (Modified Grain method) Subcooled liquid VP: 5.88E-013 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): 0.5231 log Kow used: 4.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.658 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.12E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.119E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.14 (KowWin est) Log Kaw used: -13.062 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.202 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9359 Biowin2 (Non-Linear Model) : 0.9483 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8627 (months ) Biowin4 (Primary Survey Model) : 3.1178 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3975 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8337 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): 7.84E-011 Pa (5.88E-013 mm Hg) Log Koa (Koawin est ): 17.202 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83E+004 Octanol/air (Koa) model: 3.91E+004 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 = 78.0117 E-12 cm3/molecule-sec Half-Life = 0.137 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.645 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 : 4.626E+006 Log Koc: 6.665 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 = 2.486 (BCF = 306.1) log Kow used: 4.14 (estimated) Volatilization from Water: Henry LC: 2.12E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.777E+011 hours (2.407E+010 days) Half-Life from Model Lake : 6.302E+012 hours (2.626E+011 days) Removal In Wastewater Treatment: Total removal: 36.84 percent Total biodegradation: 0.37 percent Total sludge adsorption: 36.46 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 0.0225 3.29 1000 Water 9.52 1.44e+003 1000 Soil 86.4 2.88e+003 1000 Sediment 4.01 1.3e+004 0 Persistence Time: 2.49e+003 hr
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