ChemSpider 2D Image | Ethyl 2-{[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino}-5-ethyl-3-thiophenecarboxylate | C25H21BrN2O3S

Ethyl 2-{[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino}-5-ethyl-3-thiophenecarboxylate

  • Molecular FormulaC25H21BrN2O3S
  • Average mass509.415 Da
  • Monoisotopic mass508.045624 Da
  • ChemSpider ID2695874

More details:

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

2-{[(6-Bromo-2-phényl-4-quinoléinyl)carbonyl]amino}-5-éthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino]-5-ethyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(6-bromo-2-phenyl-4-quinolinyl)carbonyl]amino}-5-ethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[(6-brom-2-phenyl-4-chinolinyl)carbonyl]amino}-5-ethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-[(6-Bromo-2-phenyl-quinoline-4-carbonyl)-amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
524733-77-5 [RN]
ETHYL 2-(6-BROMO-2-PHENYLQUINOLINE-4-AMIDO)-5-ETHYLTHIOPHENE-3-CARBOXYLATE
ethyl 2-[(6-bromo-2-phenyl(4-quinolyl))carbonylamino]-5-ethylthiophene-3-carboxylate
ETHYL 2-[(6-BROMO-2-PHENYLQUINOLINE-4-CARBONYL)AMINO]-5-ETHYLTHIOPHENE-3-CARBOXYLATE
ethyl 2-{[(6-bromo-2-phenylquinolin-4-yl)carbonyl]amino}-5-ethylthiophene-3-carboxylate
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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: 602.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 318.3±31.5 °C
    Index of Refraction: 1.678
    Molar Refractivity: 133.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 8.21
    ACD/LogD (pH 5.5): 6.64
    ACD/BCF (pH 5.5): 65855.87
    ACD/KOC (pH 5.5): 97870.56
    ACD/LogD (pH 7.4): 6.64
    ACD/BCF (pH 7.4): 65860.27
    ACD/KOC (pH 7.4): 97877.12
    Polar Surface Area: 97 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 353.8±3.0 cm3

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