ChemSpider 2D Image | Ethyl 12-(4-chlorophenyl)-8a-methyl-8-(4-nitrophenyl)-9a,10-diphenyl-8a,9,9a,10-tetrahydro-8H-bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazepine-6-carboxylate | C39H32ClN7O4

Ethyl 12-(4-chlorophenyl)-8a-methyl-8-(4-nitrophenyl)-9a,10-diphenyl-8a,9,9a,10-tetrahydro-8H-bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazepine-6-carboxylate

  • Molecular FormulaC39H32ClN7O4
  • Average mass698.169 Da
  • Monoisotopic mass697.220459 Da
  • ChemSpider ID9738627

More details:

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

12-(4-Chlorophényl)-8a-méthyl-8-(4-nitrophényl)-9a,10-diphényl-8a,9,9a,10-tétrahydro-8H-bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazépine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
8H-Bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazepine-6-carboxylic acid, 12-(4-chlorophenyl)-8a,9,9a,10-tetrahydro-8a-methyl-8-(4-nitrophenyl)-9a,10-diphenyl-, ethyl ester [ACD/Index Name]
Ethyl 12-(4-chlorophenyl)-8a-methyl-8-(4-nitrophenyl)-9a,10-diphenyl-8a,9,9a,10-tetrahydro-8H-bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazepine-6-carboxylate [ACD/IUPAC Name]
Ethyl-12-(4-chlorphenyl)-8a-methyl-8-(4-nitrophenyl)-9a,10-diphenyl-8a,9,9a,10-tetrahydro-8H-bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazepin-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.8±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 197.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 8.34
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 110 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 510.6±7.0 cm3

Click to predict properties on the Chemicalize site


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