ChemSpider 2D Image | N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-phenylethyl]-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamide | C31H34N4O2S

N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-phenylethyl]-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamide

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID10923791

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[[2-[(cyclohexylmethyl)amino]-2-oxoethyl]thio]- [ACD/Index Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-phenylethyl]-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-phenylethyl]-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamide [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-phényléthyl]-2-({2-[(cyclohexylméthyl)amino]-2-oxoéthyl}sulfanyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 828.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 455.0±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 8414.80
ACD/KOC (pH 5.5): 19613.98
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13419.46
ACD/KOC (pH 7.4): 31279.29
Polar Surface Area: 112 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 414.6±5.0 cm3

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