ChemSpider 2D Image | 4-({5-[trans-4-(2-Methyl-2-propanyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-1-yl}methyl)-N-(1H-tetrazol-5-yl)benzamide | C29H32F3N7O2

4-({5-[trans-4-(2-Methyl-2-propanyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-1-yl}methyl)-N-(1H-tetrazol-5-yl)benzamide

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID26377640

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-({5-[trans-4-(2-Methyl-2-propanyl)cyclohexyl]-3-[4-(trifluormethoxy)phenyl]-1H-pyrazol-1-yl}methyl)-N-(1H-tetrazol-5-yl)benzamid [German] [ACD/IUPAC Name]
4-({5-[trans-4-(2-Methyl-2-propanyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-1-yl}methyl)-N-(1H-tetrazol-5-yl)benzamide [ACD/IUPAC Name]
4-({5-[trans-4-(2-Méthyl-2-propanyl)cyclohexyl]-3-[4-(trifluorométhoxy)phényl]-1H-pyrazol-1-yl}méthyl)-N-(1H-tétrazol-5-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[5-[trans-4-(1,1-dimethylethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-1-yl]methyl]-N-2H-tetrazol-5-yl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 2315.37
ACD/KOC (pH 5.5): 4117.03
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 376.76
ACD/KOC (pH 7.4): 669.92
Polar Surface Area: 111 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

Click to predict properties on the Chemicalize site


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