ChemSpider 2D Image | N-(4-Methylcyclohexyl)-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}acetamide | C20H29F3N4O

N-(4-Methylcyclohexyl)-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}acetamide

  • Molecular FormulaC20H29F3N4O
  • Average mass398.466 Da
  • Monoisotopic mass398.229340 Da
  • ChemSpider ID26165153

More details:

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

1H-1,4-Diazepine-1-acetamide, hexahydro-N-(4-methylcyclohexyl)-4-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
N-(4-Methylcyclohexyl)-2-{4-[5-(trifluormethyl)-2-pyridinyl]-1,4-diazepan-1-yl}acetamid [German] [ACD/IUPAC Name]
N-(4-Methylcyclohexyl)-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}acetamide [ACD/IUPAC Name]
N-(4-Méthylcyclohexyl)-2-{4-[5-(trifluorométhyl)-2-pyridinyl]-1,4-diazépan-1-yl}acétamide [French] [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: 548.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 155.70
ACD/KOC (pH 5.5): 684.68
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1327.88
ACD/KOC (pH 7.4): 5839.23
Polar Surface Area: 48 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


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