ChemSpider 2D Image | N-Cyclohexyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carboxamide | C18H30N4O2

N-Cyclohexyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC18H30N4O2
  • Average mass334.456 Da
  • Monoisotopic mass334.237000 Da
  • ChemSpider ID25349225

More details:

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

1H-1,4-Diazepine-1-carboxamide, N-cyclohexyl-4-[(3,5-dimethyl-4-isoxazolyl)methyl]hexahydro- [ACD/Index Name]
N-Cyclohexyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-Cyclohexyl-4-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]
MFCD28042093
N-cyclohexyl-4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.0 g/cm3
Boiling Point: 540.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 81.9±0.0 kJ/mol
Flash Point: 280.9±0.0 °C
Index of Refraction: 1.560
Molar Refractivity: 93.9±0.0 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 40.44
ACD/KOC (pH 5.5): 294.05
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 231.95
ACD/KOC (pH 7.4): 1686.70
Polar Surface Area: 62 Å2
Polarizability: 37.2±0.0 10-24cm3
Surface Tension: 51.3±0.0 dyne/cm
Molar Volume: 290.3±0.0 cm3

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