ChemSpider 2D Image | (6aS,13aR)-3,4-Dimethoxy-10,11-dimethyl-6,6a,7,8,13,13a-hexahydrochromeno[4,3-b][1,5]benzodiazepine | C20H24N2O3

(6aS,13aR)-3,4-Dimethoxy-10,11-dimethyl-6,6a,7,8,13,13a-hexahydrochromeno[4,3-b][1,5]benzodiazepine

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID23332330

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aS,13aR)-3,4-Dimethoxy-10,11-dimethyl-6,6a,7,8,13,13a-hexahydrochromeno[4,3-b][1,5]benzodiazepin [German] [ACD/IUPAC Name]
(6aS,13aR)-3,4-Dimethoxy-10,11-dimethyl-6,6a,7,8,13,13a-hexahydrochromeno[4,3-b][1,5]benzodiazepine [ACD/IUPAC Name]
(6aS,13aR)-3,4-Diméthoxy-10,11-diméthyl-6,6a,7,8,13,13a-hexahydrochroméno[4,3-b][1,5]benzodiazépine [French] [ACD/IUPAC Name]
[1]Benzopyrano[4,3-b][1,5]benzodiazepine, 6,6a,7,8,13,13a-hexahydro-3,4-dimethoxy-10,11-dimethyl-, (6aS,13aR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452700/
Zimet 54 79

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 207.8±18.2 °C
Index of Refraction: 1.561
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.42
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 21.53
ACD/KOC (pH 7.4): 161.42
Polar Surface Area: 52 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

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