ChemSpider 2D Image | 1,3-Propanediyl bis(8-ethyl-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate) | C33H34N6O6

1,3-Propanediyl bis(8-ethyl-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate)

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID13092871

More details:






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

1,3-Propandiyl-bis(8-ethyl-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylat) [German] [ACD/IUPAC Name]
1,3-Propanediyl bis(8-ethyl-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate) [ACD/IUPAC Name]
4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-ethyl-5,6-dihydro-5-methyl-6-oxo-, 1,3-propanediyl ester [ACD/Index Name]
Bis(8-éthyl-5-méthyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylate) de 1,3-propanediyle [French] [ACD/IUPAC Name]
XLi356, 4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 872.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 481.3±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.59
ACD/KOC (pH 5.5): 544.21
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.59
ACD/KOC (pH 7.4): 544.22
Polar Surface Area: 129 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 442.8±7.0 cm3

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