ChemSpider 2D Image | 3-{[5-(Benzylcarbamoyl)-2-fluorophenyl]carbamoyl}-2-pyrazinecarboxylic acid | C20H15FN4O4

3-{[5-(Benzylcarbamoyl)-2-fluorophenyl]carbamoyl}-2-pyrazinecarboxylic acid

  • Molecular FormulaC20H15FN4O4
  • Average mass394.356 Da
  • Monoisotopic mass394.107727 Da
  • ChemSpider ID30671905

More details:

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

2-Pyrazinecarboxylic acid, 3-[[[2-fluoro-5-[[(phenylmethyl)amino]carbonyl]phenyl]amino]carbonyl]- [ACD/Index Name]
3-{[5-(Benzylcarbamoyl)-2-fluorophenyl]carbamoyl}-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
3-{[5-(Benzylcarbamoyl)-2-fluorphenyl]carbamoyl}-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
Acide 3-{[5-(benzylcarbamoyl)-2-fluorophényl]carbamoyl}-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]
1324091-98-6 [RN]
3-(5-Benzylcarbamoyl-2-fluoro-phenylcarbamoyl)-pyrazine-2-carboxylic acid
3-[[5-(benzylcarbamoyl)-2-fluorophenyl]carbamoyl]pyrazine-2-carboxylic acid
3-{[5-(benzylcarbamoyl)-2-fluorophenyl]carbamoyl}pyrazine-2-carboxylic acid
AGN-PC-0BHS14
MCULE-3215865529
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 570.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.0±3.0 kJ/mol
    Flash Point: 298.9±30.1 °C
    Index of Refraction: 1.672
    Molar Refractivity: 102.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): -1.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 70.5±3.0 dyne/cm
    Molar Volume: 272.5±3.0 cm3

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