ChemSpider 2D Image | {5-[2-(3,4-Dimethoxyphenyl)-4-quinolinyl]-1,3,4-oxadiazol-2-yl}methyl 2-(butylamino)benzoate | C31H30N4O5

{5-[2-(3,4-Dimethoxyphenyl)-4-quinolinyl]-1,3,4-oxadiazol-2-yl}methyl 2-(butylamino)benzoate

  • Molecular FormulaC31H30N4O5
  • Average mass538.594 Da
  • Monoisotopic mass538.221619 Da
  • ChemSpider ID1846224

More details:

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

{5-[2-(3,4-Dimethoxyphenyl)-4-chinolinyl]-1,3,4-oxadiazol-2-yl}methyl-2-(butylamino)benzoat [German] [ACD/IUPAC Name]
{5-[2-(3,4-Dimethoxyphenyl)-4-quinolinyl]-1,3,4-oxadiazol-2-yl}methyl 2-(butylamino)benzoate [ACD/IUPAC Name]
2-(Butylamino)benzoate de {5-[2-(3,4-diméthoxyphényl)-4-quinoléinyl]-1,3,4-oxadiazol-2-yl}méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(butylamino)-, [5-[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-1,3,4-oxadiazol-2-yl]methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 153.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8304.40
ACD/KOC (pH 5.5): 22224.98
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8317.04
ACD/KOC (pH 7.4): 22258.78
Polar Surface Area: 109 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 432.2±3.0 cm3

Click to predict properties on the Chemicalize site


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