ChemSpider 2D Image | 2-Methyl-2-propanyl 8-chloro-9-oxo-12,12a-dihydro-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylate | C18H18ClN3O3

2-Methyl-2-propanyl 8-chloro-9-oxo-12,12a-dihydro-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylate

  • Molecular FormulaC18H18ClN3O3
  • Average mass359.807 Da
  • Monoisotopic mass359.103668 Da
  • ChemSpider ID23147807

More details:

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

2-Methyl-2-propanyl 8-chloro-9-oxo-12,12a-dihydro-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-chlor-9-oxo-12,12a-dihydro-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepin-1-carboxylat [German] [ACD/IUPAC Name]
8-Chloro-9-oxo-12,12a-dihydro-9H,11H-azéto[2,1-c]imidazo[1,5-a][1,4]benzodiazépine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
9H,11H-Azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylic acid, 8-chloro-12,12a-dihydro-9-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
Ro-16-0153
tert-butyl 8-chloro-9-oxo-12,12a-dihydro-9H,11H-azeto[1,2-a]benzo[e]imidazo[5,1-c][1,4]diazepine-1-carboxylate(Ro 16-0153)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.96
ACD/KOC (pH 5.5): 667.41
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.96
ACD/KOC (pH 7.4): 667.42
Polar Surface Area: 64 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 247.7±7.0 cm3

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