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

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

  • Molecular FormulaC25H21BrN2O3S
  • Average mass509.415 Da
  • Monoisotopic mass508.045624 Da
  • ChemSpider ID2721685

More details:

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

2-({[6-Bromo-2-(3-méthylphényl)-4-quinoléinyl]carbonyl}amino)-5-éthyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]carbonyl]amino]-5-ethyl-, methyl ester [ACD/Index Name]
Methyl 2-({[6-bromo-2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-({[6-brom-2-(3-methylphenyl)-4-chinolinyl]carbonyl}amino)-5-ethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-[(6-Bromo-2-m-tolyl-quinoline-4-carbonyl)-amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester
438211-94-0 [RN]
AC1MQQ4P
AGN-PC-0KV4J4
AKOS003300328
FNJOGTXFBRTWCH-UHFFFAOYSA-N
More...

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

AK-968/41017325 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 598.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±3.0 kJ/mol
    Flash Point: 315.5±30.1 °C
    Index of Refraction: 1.680
    Molar Refractivity: 133.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 8.14
    ACD/LogD (pH 5.5): 6.72
    ACD/BCF (pH 5.5): 74635.48
    ACD/KOC (pH 5.5): 107039.10
    ACD/LogD (pH 7.4): 6.72
    ACD/BCF (pH 7.4): 74645.72
    ACD/KOC (pH 7.4): 107053.79
    Polar Surface Area: 97 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 353.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement