ChemSpider 2D Image | RWJ-394674 | C33H38N2O

RWJ-394674

  • Molecular FormulaC33H38N2O
  • Average mass478.668 Da
  • Monoisotopic mass478.298401 Da
  • ChemSpider ID23158278
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Benzamide, N,N-diethyl-4-[(Z)-phenyl[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]oct-3-ylidene]methyl]- [ACD/Index Name]
N,N-Diethyl-4-{(Z)-phenyl[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]oct-3-yliden]methyl}benzamid [German] [ACD/IUPAC Name]
N,N-Diethyl-4-{(Z)-phenyl[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]oct-3-ylidene]methyl}benzamide [ACD/IUPAC Name]
N,N-Diéthyl-4-{(Z)-phényl[(1R,5S)-8-(2-phényléthyl)-8-azabicyclo[3.2.1]oct-3-ylidène]méthyl}benzamide [French] [ACD/IUPAC Name]
RWJ-394674 [Wiki]
CHEMBL68113
N,N-Diethyl-4-{[(1R,5S)-8-phenethyl-8-aza-bicyclo[3.2.1]oct-(3E)-ylidene]-phenyl-methyl}-benzamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 648.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 262.3±20.5 °C
Index of Refraction: 1.601
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 21.57
ACD/KOC (pH 5.5): 41.36
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 37.92
ACD/KOC (pH 7.4): 72.71
Polar Surface Area: 24 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 434.8±3.0 cm3

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