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

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

  • Molecular FormulaC25H21BrN2O3S
  • Average mass509.415 Da
  • Monoisotopic mass508.045624 Da
  • ChemSpider ID2866421

More details:

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

2-({[6-Bromo-2-(3-méthylphényl)-4-quinoléinyl]carbonyl}amino)-5-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]carbonyl]amino]-5-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-({[6-bromo-2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-({[6-brom-2-(3-methylphenyl)-4-chinolinyl]carbonyl}amino)-5-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-[(6-Bromo-2-m-tolyl-quinoline-4-carbonyl)-amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester
ethyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5-methylthiophene-3-carboxylate
ETHYL 2-[6-BROMO-2-(3-METHYLPHENYL)QUINOLINE-4-AMIDO]-5-METHYLTHIOPHENE-3-CARBOXYLATE
ethyl 2-{[6-bromo-2-(3-methylphenyl)(4-quinolyl)]carbonylamino}-5-methylthiophene-3-carboxylate
MFCD03465387

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.9±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 133.5±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): 74635.88
ACD/KOC (pH 5.5): 107039.69
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 74649.16
ACD/KOC (pH 7.4): 107058.73
Polar Surface Area: 97 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 353.5±3.0 cm3

Click to predict properties on the Chemicalize site


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