ChemSpider 2D Image | Ethyl 4-(2-{[6-chloro-3-(3-methoxyphenyl)-4-oxo-4H-chromen-2-yl]amino}-2-oxoethyl)-1-piperazinecarboxylate | C25H26ClN3O6

Ethyl 4-(2-{[6-chloro-3-(3-methoxyphenyl)-4-oxo-4H-chromen-2-yl]amino}-2-oxoethyl)-1-piperazinecarboxylate

  • Molecular FormulaC25H26ClN3O6
  • Average mass499.943 Da
  • Monoisotopic mass499.151001 Da
  • ChemSpider ID21533101

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[6-chloro-3-(3-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-yl]amino]-2-oxoethyl]-, ethyl ester [ACD/Index Name]
4-(2-{[6-Chloro-3-(3-méthoxyphényl)-4-oxo-4H-chromén-2-yl]amino}-2-oxoéthyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(2-{[6-chloro-3-(3-methoxyphenyl)-4-oxo-4H-chromen-2-yl]amino}-2-oxoethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(2-{[6-chlor-3-(3-methoxyphenyl)-4-oxo-4H-chromen-2-yl]amino}-2-oxoethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[6-Chloro-3-(3-methoxy-phenyl)-4-oxo-4H-chromen-2-ylcarbamoyl]-methyl}-piperazine-1-carboxylic acid ethyl ester
920481-50-1 [RN]
ethyl 4-({N-[6-chloro-3-(3-methoxyphenyl)-4-oxochromen-2-yl]carbamoyl}methyl)piperazinecarboxylate
ethyl 4-(2-((6-chloro-3-(3-methoxyphenyl)-4-oxo-4H-chromen-2-yl)amino)-2-oxoethyl)piperazine-1-carboxylate
ethyl 4-(2-{[6-chloro-3-(3-methoxyphenyl)-4-oxo-4H-chromen-2-yl]amino}-2-oxoethyl)piperazine-1-carboxylate
ethyl 4-[2-[[6-chloro-3-(3-methoxyphenyl)-4-oxochromen-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 686.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 369.0±31.5 °C
    Index of Refraction: 1.643
    Molar Refractivity: 128.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.53
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 71.97
    ACD/KOC (pH 5.5): 724.97
    ACD/LogD (pH 7.4): 2.80
    ACD/BCF (pH 7.4): 78.38
    ACD/KOC (pH 7.4): 789.49
    Polar Surface Area: 97 Å2
    Polarizability: 51.1±0.5 10-24cm3
    Surface Tension: 64.8±5.0 dyne/cm
    Molar Volume: 356.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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