ChemSpider 2D Image | N-{2-[(3S)-3-({4-Hydroxy-4-[4-(1H-imidazol-1-yl)phenyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluoromethyl)benzamide | C29H32F3N5O3

N-{2-[(3S)-3-({4-Hydroxy-4-[4-(1H-imidazol-1-yl)phenyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID9539864

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Benzamide, N-[2-[(3S)-3-[[4-hydroxy-4-[4-(1H-imidazol-1-yl)phenyl]cyclohexyl]amino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{2-[(3S)-3-({4-Hydroxy-4-[4-(1H-imidazol-1-yl)phenyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[(3S)-3-({4-Hydroxy-4-[4-(1H-imidazol-1-yl)phenyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{2-[(3S)-3-({4-Hydroxy-4-[4-(1H-imidazol-1-yl)phényl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoéthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC 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: 752.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 408.8±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 40.42
Polar Surface Area: 99 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 403.1±7.0 cm3

Click to predict properties on the Chemicalize site


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