ChemSpider 2D Image | MFCD01128021 | C25H28N2O5

MFCD01128021

  • Molecular FormulaC25H28N2O5
  • Average mass436.500 Da
  • Monoisotopic mass436.199829 Da
  • ChemSpider ID17748415

More details:

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

4-{[(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinoléinyl)carbonyl]amino}benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl]amino]-, butyl ester [ACD/Index Name]
Butyl 4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate [ACD/IUPAC Name]
butyl 4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}benzoate
Butyl-4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-chinolinyl)carbonyl]amino}benzoat [German] [ACD/IUPAC Name]
MFCD01128021
331963-07-6 [RN]
4-((1-BU-4-HO-2-OXO-1,2-2H-QUINOLINE-3-CARBONYL)-AMINO)-BENZOIC ACID BUTYL ESTER
4-[(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-benzoic acid butyl ester
AC1LWBPO
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/11765222 [DBID]
BAS 00693251 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 611.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.5±3.0 kJ/mol
    Flash Point: 323.7±31.5 °C
    Index of Refraction: 1.617
    Molar Refractivity: 121.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 5.26
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 70.18
    ACD/KOC (pH 5.5): 443.15
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 1.19
    ACD/KOC (pH 7.4): 7.52
    Polar Surface Area: 96 Å2
    Polarizability: 48.1±0.5 10-24cm3
    Surface Tension: 57.1±3.0 dyne/cm
    Molar Volume: 346.7±3.0 cm3

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