ChemSpider 2D Image | 4-(Cyclohexylmethyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one | C19H32N4O

4-(Cyclohexylmethyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one

  • Molecular FormulaC19H32N4O
  • Average mass332.484 Da
  • Monoisotopic mass332.257599 Da
  • ChemSpider ID22522155

More details:






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

4-(Cyclohexylmethyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
4-(Cyclohexylmethyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one [ACD/IUPAC Name]
4-(Cyclohexylméthyl)-1-[(1-éthyl-3-méthyl-1H-pyrazol-4-yl)méthyl]-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, 4-(cyclohexylmethyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 493.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.4±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.25
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 41.95
ACD/KOC (pH 7.4): 395.05
Polar Surface Area: 41 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 285.5±7.0 cm3

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