ChemSpider 2D Image | 4-(2-[(2-Chloro-5-nitrobenzoyl)amino]-3-{[2-(3-chlorophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-oxopropyl)phenyl acetate | C31H32Cl2N4O8

4-(2-[(2-Chloro-5-nitrobenzoyl)amino]-3-{[2-(3-chlorophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC31H32Cl2N4O8
  • Average mass659.514 Da
  • Monoisotopic mass658.159729 Da
  • ChemSpider ID121140330

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(2-[(2-Chlor-5-nitrobenzoyl)amino]-3-{[2-(3-chlorphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
4-(2-[(2-Chloro-5-nitrobenzoyl)amino]-3-{[2-(3-chlorophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
Acétate de 4-(2-[(2-chloro-5-nitrobenzoyl)amino]-3-{[2-(3-chlorophényl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[3-[4-(acetyloxy)phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]-1-oxopropyl]amino]-1-(3-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 844.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 464.2±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 167.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4279.59
ACD/KOC (pH 5.5): 13834.09
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4277.90
ACD/KOC (pH 7.4): 13828.63
Polar Surface Area: 169 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 492.5±3.0 cm3

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