ChemSpider 2D Image | Methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate | C20H18N4O3

Methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate

  • Molecular FormulaC20H18N4O3
  • Average mass362.382 Da
  • Monoisotopic mass362.137878 Da
  • ChemSpider ID24616843

More details:

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

[3-(1-Méthyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazépin-8-yl]acétate de méthyle [French] [ACD/IUPAC Name]
5H-Dibenzo[b,e][1,4]diazepine-8-acetic acid, 10,11-dihydro-3-(1-methyl-1H-imidazol-5-yl)-11-oxo-, methyl ester [ACD/Index Name]
Methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate [ACD/IUPAC Name]
Methyl-[3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetat [German] [ACD/IUPAC Name]
Chk1_102

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 12.80
ACD/KOC (pH 5.5): 146.53
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.24
ACD/KOC (pH 7.4): 552.23
Polar Surface Area: 85 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 264.6±7.0 cm3

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