ChemSpider 2D Image | (7S)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid | C29H37N3O3

(7S)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid

  • Molecular FormulaC29H37N3O3
  • Average mass475.622 Da
  • Monoisotopic mass475.283478 Da
  • ChemSpider ID26389482

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocin-11-carbonsäure [German] [ACD/IUPAC Name]
(7S)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid [ACD/IUPAC Name]
6H-Indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, 14-cyclohexyl-7-[[2-(dimethylamino)ethyl]methylamino]-7,8-dihydro-, (7S)- [ACD/Index Name]
Acide (7S)-14-cyclohexyl-7-{[2-(diméthylamino)éthyl](méthyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 55.02
ACD/KOC (pH 5.5): 111.82
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 68.84
ACD/KOC (pH 7.4): 139.91
Polar Surface Area: 58 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 387.2±7.0 cm3

Click to predict properties on the Chemicalize site


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