ChemSpider 2D Image | 6-[(3-Fluorobenzyl)oxy]-1-isobutyl-4-[(1-methylcyclopropyl)carbonyl]-1,4-diazepan-2-one | C21H29FN2O3

6-[(3-Fluorobenzyl)oxy]-1-isobutyl-4-[(1-methylcyclopropyl)carbonyl]-1,4-diazepan-2-one

  • Molecular FormulaC21H29FN2O3
  • Average mass376.465 Da
  • Monoisotopic mass376.216217 Da
  • ChemSpider ID22127456

More details:

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

2H-1,4-Diazepin-2-one, 6-[(3-fluorophenyl)methoxy]hexahydro-4-[(1-methylcyclopropyl)carbonyl]-1-(2-methylpropyl)- [ACD/Index Name]
6-[(3-Fluorbenzyl)oxy]-1-isobutyl-4-[(1-methylcyclopropyl)carbonyl]-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
6-[(3-Fluorobenzyl)oxy]-1-isobutyl-4-[(1-methylcyclopropyl)carbonyl]-1,4-diazepan-2-one [ACD/IUPAC Name]
6-[(3-Fluorobenzyl)oxy]-1-isobutyl-4-[(1-méthylcyclopropyl)carbonyl]-1,4-diazépan-2-one [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: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.42
ACD/KOC (pH 5.5): 716.50
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.42
ACD/KOC (pH 7.4): 716.50
Polar Surface Area: 50 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 316.8±5.0 cm3

Click to predict properties on the Chemicalize site


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