ChemSpider 2D Image | 2-{4-[(4-Methyl-1-piperazinyl)carbonyl]phenyl}-4H-chromen-4-one | C21H20N2O3

2-{4-[(4-Methyl-1-piperazinyl)carbonyl]phenyl}-4H-chromen-4-one

  • Molecular FormulaC21H20N2O3
  • Average mass348.395 Da
  • Monoisotopic mass348.147400 Da
  • ChemSpider ID22178235

More details:






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

2-{4-[(4-Methyl-1-piperazinyl)carbonyl]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{4-[(4-Methyl-1-piperazinyl)carbonyl]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
2-{4-[(4-Méthyl-1-pipérazinyl)carbonyl]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one
4H-1-Benzopyran-4-one, 2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- [ACD/Index Name]
1VF
2-{4-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-on

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 534.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 22.24
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 20.40
ACD/KOC (pH 7.4): 287.35
Polar Surface Area: 50 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 275.4±3.0 cm3

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