ChemSpider 2D Image | (14bS)-2-Chloro-5-methyl-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one | C18H17ClN2O

(14bS)-2-Chloro-5-methyl-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one

  • Molecular FormulaC18H17ClN2O
  • Average mass312.793 Da
  • Monoisotopic mass312.102936 Da
  • ChemSpider ID34995482

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14bS)-2-Chlor-5-methyl-5,9,10,14b-tetrahydroisochinolino[2,1-d][1,4]benzodiazepin-6(7H)-on [German] [ACD/IUPAC Name]
(14bS)-2-Chloro-5-méthyl-5,9,10,14b-tétrahydroisoquinoléino[2,1-d][1,4]benzodiazépin-6(7H)-one [French] [ACD/IUPAC Name]
(14bS)-2-Chloro-5-methyl-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one [ACD/IUPAC Name]
Isoquino[2,1-d][1,4]benzodiazepin-6(7H)-one, 2-chloro-5,9,10,14b-tetrahydro-5-methyl-, (14bS)- [ACD/Index Name]
7492-29-7 [RN]
clazolam [USAN] [Wiki]
UNII-YJ53T77095

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction: 1.683
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 209.17
ACD/KOC (pH 5.5): 1571.01
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 220.23
ACD/KOC (pH 7.4): 1654.09
Polar Surface Area: 24 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

Click to predict properties on the Chemicalize site


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