ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamide | C23H23ClFN3O3

N-(3-Chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamide

  • Molecular FormulaC23H23ClFN3O3
  • Average mass443.898 Da
  • Monoisotopic mass443.141205 Da
  • ChemSpider ID21638164

More details:

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

1-Piperazineacetamide, N-(3-chloro-4-fluorophenyl)-4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-2-{4-[(7-méthyl-2-oxo-2H-chromén-4-yl)méthyl]-1-pipérazinyl}acétamide [French] [ACD/IUPAC Name]
MFCD09779945
N-(3-Chloro-4-fluoro-phenyl)-2-[4-(7-methyl-2-oxo-2H-chromen-4-ylmethyl)-piperazin-1-yl]-acetamide
N-(3-chloro-4-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-CHLORO-4-FLUOROPHENYL)-2-{4-[(7-METHYL-2-OXOCHROMEN-4-YL)METHYL]PIPERAZIN-1-YL}ACETAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 51.10
ACD/KOC (pH 5.5): 315.67
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 399.83
ACD/KOC (pH 7.4): 2470.14
Polar Surface Area: 62 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 328.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement