ChemSpider 2D Image | Diethyl 5-({[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate | C30H28N2O6

Diethyl 5-({[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate

  • Molecular FormulaC30H28N2O6
  • Average mass512.553 Da
  • Monoisotopic mass512.194763 Da
  • ChemSpider ID4267353

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl]amino]-, diethyl ester [ACD/Index Name]
5-({[2-(2-Éthoxyphényl)-4-quinoléinyl]carbonyl}amino)isophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-({[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate [ACD/IUPAC Name]
Diethyl 5-({[2-(2-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)isophthalate
Diethyl-5-({[2-(2-ethoxyphenyl)-4-chinolinyl]carbonyl}amino)isophthalat [German] [ACD/IUPAC Name]
5-{[2-(2-Ethoxy-phenyl)-quinoline-4-carbonyl]-amino}-isophthalic acid diethyl ester
diethyl 5-({[2-(2-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)benzene-1,3-dicarboxylate
ethyl 3-(ethoxycarbonyl)-5-{[2-(2-ethoxyphenyl)(4-quinolyl)]carbonylamino}benzoate
MFCD03233438

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

AK-968/41017711 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12422.78
ACD/KOC (pH 5.5): 29648.88
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12441.26
ACD/KOC (pH 7.4): 29692.99
Polar Surface Area: 104 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 410.2±3.0 cm3

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