ChemSpider 2D Image | N-(5-Chloro-2-methoxyphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamide | C25H28ClN3O4

N-(5-Chloro-2-methoxyphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamide

  • Molecular FormulaC25H28ClN3O4
  • Average mass469.961 Da
  • Monoisotopic mass469.176819 Da
  • ChemSpider ID21638470

More details:

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

1-Piperazineacetamide, N-(5-chloro-2-methoxyphenyl)-4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]- [ACD/Index Name]
N-(5-Chlor-2-methoxyphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-methoxyphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]-1-piperazinyl}acetamide [ACD/IUPAC Name]
N-(5-Chloro-2-méthoxyphényl)-2-{4-[(6-éthyl-2-oxo-2H-chromén-4-yl)méthyl]-1-pipérazinyl}acétamide [French] [ACD/IUPAC Name]
MFCD09780257
N-(5-Chloro-2-methoxy-phenyl)-2-[4-(6-ethyl-2-oxo-2H-chromen-4-ylmethyl)-piperazin-1-yl]-acetamide
N-(5-chloro-2-methoxyphenyl)-2-{4-[(6-ethyl-2-oxo-2H-chromen-4-yl)methyl]piperazin-1-yl}acetamide
N-(5-CHLORO-2-METHOXYPHENYL)-2-{4-[(6-ETHYL-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: 1.3±0.1 g/cm3
Boiling Point: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 127.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 71.00
ACD/KOC (pH 5.5): 395.73
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 572.47
ACD/KOC (pH 7.4): 3190.62
Polar Surface Area: 71 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 364.6±3.0 cm3

Click to predict properties on the Chemicalize site


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