ChemSpider 2D Image | 1-{1-[4-(1-Cyano-2-methylpropyl)-1-piperazinyl]-1-oxo-2-pentanyl}-3-(4-fluorobenzyl)urea | C22H32FN5O2

1-{1-[4-(1-Cyano-2-methylpropyl)-1-piperazinyl]-1-oxo-2-pentanyl}-3-(4-fluorobenzyl)urea

  • Molecular FormulaC22H32FN5O2
  • Average mass417.520 Da
  • Monoisotopic mass417.253998 Da
  • ChemSpider ID69877830

More details:

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

1-{1-[4-(1-Cyan-2-methylpropyl)-1-piperazinyl]-1-oxo-2-pentanyl}-3-(4-fluorbenzyl)harnstoff [German] [ACD/IUPAC Name]
1-{1-[4-(1-Cyano-2-methylpropyl)-1-piperazinyl]-1-oxo-2-pentanyl}-3-(4-fluorobenzyl)urea [ACD/IUPAC Name]
1-{1-[4-(1-Cyano-2-méthylpropyl)-1-pipérazinyl]-1-oxo-2-pentanyl}-3-(4-fluorobenzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[1-[[4-(1-cyano-2-methylpropyl)-1-piperazinyl]carbonyl]butyl]-N'-[(4-fluorophenyl)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: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.17
ACD/KOC (pH 5.5): 453.86
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.22
ACD/KOC (pH 7.4): 454.42
Polar Surface Area: 88 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement