ChemSpider 2D Image | (12bS)-11-Chloro-2,8-dimethyl-12b-phenyl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione | C20H17ClN2O3

(12bS)-11-Chloro-2,8-dimethyl-12b-phenyl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione

  • Molecular FormulaC20H17ClN2O3
  • Average mass368.814 Da
  • Monoisotopic mass368.092773 Da
  • ChemSpider ID21182087
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(12bS)-11-Chlor-2,8-dimethyl-12b-phenyl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazepin-4,7(6H)-dion [German] [ACD/IUPAC Name]
(12bS)-11-Chloro-2,8-dimethyl-12b-phenyl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione [ACD/IUPAC Name]
(12bS)-11-Chloro-2,8-diméthyl-12b-phényl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazépine-4,7(6H)-dione [French] [ACD/IUPAC Name]
4H-[1,3]Oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione, 11-chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-, (12bS)- [ACD/Index Name]
248-346-3 [EINECS]
27223-35-4 [RN]
ketazolam [Wiki]
UNII-92A214MD7Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.52
ACD/KOC (pH 5.5): 576.67
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.52
ACD/KOC (pH 7.4): 576.67
Polar Surface Area: 50 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 260.3±5.0 cm3

Click to predict properties on the Chemicalize site






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