ChemSpider 2D Image | N-[(1S)-2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide | C27H31FN4O2

N-[(1S)-2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide

  • Molecular FormulaC27H31FN4O2
  • Average mass462.559 Da
  • Monoisotopic mass462.243103 Da
  • ChemSpider ID90663271

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Imidazole-1-acetamide, N-[(1S)-2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-methyl- [ACD/Index Name]
N-[(1S)-2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide [ACD/IUPAC Name]
N-[(1S)-2-(Cyclohexylamino)-1-(2-méthylphényl)-2-oxoéthyl]-N-(3-fluorophényl)-2-(2-méthyl-1H-imidazol-1-yl)acétamide [French] [ACD/IUPAC Name]
N-[(1S)-2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorphenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamid [German] [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: 707.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 50.19
ACD/KOC (pH 5.5): 270.78
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 602.69
ACD/KOC (pH 7.4): 3251.27
Polar Surface Area: 67 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 379.5±7.0 cm3

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