ChemSpider 2D Image | 4-(4-Fluorobenzyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one | C22H31FN4O

4-(4-Fluorobenzyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one

  • Molecular FormulaC22H31FN4O
  • Average mass386.506 Da
  • Monoisotopic mass386.248199 Da
  • ChemSpider ID29636886

More details:

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

4-(4-Fluorbenzyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)méthyl]-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, 4-[(4-fluorophenyl)methyl]hexahydro-3-(1-methylethyl)-1-[[1-(1-methylethyl)-1H-imidazol-2-yl]methyl]- [ACD/Index 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: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.7±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.04
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 27.42
ACD/KOC (pH 7.4): 243.35
Polar Surface Area: 41 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 334.8±7.0 cm3

Click to predict properties on the Chemicalize site


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