ChemSpider 2D Image | 2-{[4-(4-Fluorobenzyl)-3-isopropyl-1,4-diazepan-1-yl]methyl}-3,5-dimethyl-4(1H)-pyridinone | C23H32FN3O

2-{[4-(4-Fluorobenzyl)-3-isopropyl-1,4-diazepan-1-yl]methyl}-3,5-dimethyl-4(1H)-pyridinone

  • Molecular FormulaC23H32FN3O
  • Average mass385.518 Da
  • Monoisotopic mass385.252930 Da
  • ChemSpider ID29624722

More details:

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

2-{[4-(4-Fluorbenzyl)-3-isopropyl-1,4-diazepan-1-yl]methyl}-3,5-dimethyl-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-{[4-(4-Fluorobenzyl)-3-isopropyl-1,4-diazepan-1-yl]methyl}-3,5-dimethyl-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[4-(4-Fluorobenzyl)-3-isopropyl-1,4-diazépan-1-yl]méthyl}-3,5-diméthyl-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[4-[(4-fluorophenyl)methyl]hexahydro-3-(1-methylethyl)-1H-1,4-diazepin-1-yl]methyl]-3,5-dimethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 487.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.7±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 26.16
Polar Surface Area: 36 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement