ChemSpider 2D Image | 2-Methyl-2-propanyl 8-ethyl-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate | C21H25N3O3

2-Methyl-2-propanyl 8-ethyl-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate

  • Molecular FormulaC21H25N3O3
  • Average mass367.441 Da
  • Monoisotopic mass367.189606 Da
  • ChemSpider ID23147450

More details:

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

2-Methyl-2-propanyl 8-ethyl-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-ethyl-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-1-carboxylat [German] [ACD/IUPAC Name]
8-Éthyl-9-oxo-11,12,13,13a-tétrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazépine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 8-ethyl-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
8-Ethyl-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL301180/
Ro-16-6624

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.86
ACD/KOC (pH 5.5): 719.84
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.86
ACD/KOC (pH 7.4): 719.85
Polar Surface Area: 64 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 285.7±7.0 cm3

Click to predict properties on the Chemicalize site


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