ChemSpider 2D Image | 6-Ethoxy-4-{[4-(3-fluorobenzyl)-1-piperazinyl]methyl}-2H-chromen-2-one | C23H25FN2O3

6-Ethoxy-4-{[4-(3-fluorobenzyl)-1-piperazinyl]methyl}-2H-chromen-2-one

  • Molecular FormulaC23H25FN2O3
  • Average mass396.455 Da
  • Monoisotopic mass396.184906 Da
  • ChemSpider ID21638142

More details:

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

2H-1-Benzopyran-2-one, 6-ethoxy-4-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]methyl]- [ACD/Index Name]
6-Ethoxy-4-{[4-(3-fluorbenzyl)-1-piperazinyl]methyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Ethoxy-4-{[4-(3-fluorobenzyl)-1-piperazinyl]methyl}-2H-chromen-2-one [ACD/IUPAC Name]
6-Éthoxy-4-{[4-(3-fluorobenzyl)-1-pipérazinyl]méthyl}-2H-chromén-2-one [French] [ACD/IUPAC Name]
6-ETHOXY-4-({4-[(3-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}METHYL)-2H-CHROMEN-2-ONE
6-ETHOXY-4-({4-[(3-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}METHYL)CHROMEN-2-ONE
6-Ethoxy-4-[4-(3-fluoro-benzyl)-piperazin-1-ylmethyl]-chromen-2-one
6-ethoxy-4-{[4-(3-fluorobenzyl)piperazin-1-yl]methyl}-2H-chromen-2-one
MFCD09779923

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.9±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 66.04
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 157.20
ACD/KOC (pH 7.4): 1209.04
Polar Surface Area: 42 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

Click to predict properties on the Chemicalize site


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