ChemSpider 2D Image | (3S,11bS)-10-Chloro-11b-(2-chlorophenyl)-3-methyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one | C18H16Cl2N2O2

(3S,11bS)-10-Chloro-11b-(2-chlorophenyl)-3-methyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one

  • Molecular FormulaC18H16Cl2N2O2
  • Average mass363.238 Da
  • Monoisotopic mass362.058868 Da
  • ChemSpider ID34993915

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,11bS)-10-Chlor-11b-(2-chlorphenyl)-3-methyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-on [German] [ACD/IUPAC Name]
(3S,11bS)-10-Chloro-11b-(2-chlorophenyl)-3-methyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one [ACD/IUPAC Name]
(3S,11bS)-10-Chloro-11b-(2-chlorophényl)-3-méthyl-2,3,7,11b-tétrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazépin-6(5H)-one [French] [ACD/IUPAC Name]
Oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one, 10-chloro-11b-(2-chlorophenyl)-2,3,7,11b-tetrahydro-3-methyl-, (3S,11bS)- [ACD/Index Name]
31868-18-5 [RN]
mexazolam [Wiki]
UNII-S5969B6237

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

Density: 1.5±0.1 g/cm3
Boiling Point: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 451.85
ACD/KOC (pH 5.5): 2766.94
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.01
ACD/KOC (pH 7.4): 2767.96
Polar Surface Area: 42 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 250.6±5.0 cm3

Click to predict properties on the Chemicalize site


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