ChemSpider 2D Image | 4-Cyclohexyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide | C17H30N6O

4-Cyclohexyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC17H30N6O
  • Average mass334.460 Da
  • Monoisotopic mass334.248108 Da
  • ChemSpider ID52621267

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-cyclohexylhexahydro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]- [ACD/Index Name]
4-Cyclohexyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-Cyclohexyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-Cyclohexyl-N-[1-(5-méthyl-1H-1,2,4-triazol-3-yl)éthyl]-1,4-diazépane-1-carboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.74
Polar Surface Area: 77 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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