ChemSpider 2D Image | Diisopropyl 5-({[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate | C34H36N2O6

Diisopropyl 5-({[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate

  • Molecular FormulaC34H36N2O6
  • Average mass568.659 Da
  • Monoisotopic mass568.257324 Da
  • ChemSpider ID3526733

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl]amino]-, bis(1-methylethyl) ester [ACD/Index Name]
5-({[2-(3-Butoxyphényl)-4-quinoléinyl]carbonyl}amino)isophtalate de diisopropyle [French] [ACD/IUPAC Name]
Diisopropyl 5-({[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate [ACD/IUPAC Name]
Diisopropyl 5-({[2-(3-butoxyphenyl)quinolin-4-yl]carbonyl}amino)isophthalate
Diisopropyl-5-({[2-(3-butoxyphenyl)-4-chinolinyl]carbonyl}amino)isophthalat [German] [ACD/IUPAC Name]
5-{[2-(3-Butoxy-phenyl)-quinoline-4-carbonyl]-amino}-isophthalic acid diisopropyl ester
dipropan-2-yl 5-({[2-(3-butoxyphenyl)quinolin-4-yl]carbonyl}amino)benzene-1,3-dicarboxylate
methylethyl 5-{[2-(3-butoxyphenyl)(4-quinolyl)]carbonylamino}-3-[(methylethyl)oxycarbonyl]benzoate
MFCD03233452

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 114261.76
ACD/KOC (pH 5.5): 145129.94
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 114473.34
ACD/KOC (pH 7.4): 145398.69
Polar Surface Area: 104 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 477.0±3.0 cm3

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