ChemSpider 2D Image | (1R)-2-(Benzylsulfonyl)-1-(1H-indol-3-yl)-2,3-dihydro-1H-2-benzazepine | C25H22N2O2S

(1R)-2-(Benzylsulfonyl)-1-(1H-indol-3-yl)-2,3-dihydro-1H-2-benzazepine

  • Molecular FormulaC25H22N2O2S
  • Average mass414.519 Da
  • Monoisotopic mass414.140198 Da
  • ChemSpider ID30658909

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-2-(Benzylsulfonyl)-1-(1H-indol-3-yl)-2,3-dihydro-1H-2-benzazepin [German] [ACD/IUPAC Name]
(1R)-2-(Benzylsulfonyl)-1-(1H-indol-3-yl)-2,3-dihydro-1H-2-benzazepine [ACD/IUPAC Name]
(1R)-2-(Benzylsulfonyl)-1-(1H-indol-3-yl)-2,3-dihydro-1H-2-benzazépine [French] [ACD/IUPAC Name]
1H-2-Benzazepine, 2,3-dihydro-1-(1H-indol-3-yl)-2-[(phenylmethyl)sulfonyl]-, (1R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 663.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.728
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3849.89
ACD/KOC (pH 5.5): 12825.00
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3849.89
ACD/KOC (pH 7.4): 12825.00
Polar Surface Area: 62 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

Click to predict properties on the Chemicalize site


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