ChemSpider 2D Image | 3-{[(6-Chloro-5,8-dimethoxy-4-oxo-1,4-dihydro-3-quinolinyl)carbonyl]amino}-3-(3-methoxy-4-propoxyphenyl)propanoic acid | C25H27ClN2O8

3-{[(6-Chloro-5,8-dimethoxy-4-oxo-1,4-dihydro-3-quinolinyl)carbonyl]amino}-3-(3-methoxy-4-propoxyphenyl)propanoic acid

  • Molecular FormulaC25H27ClN2O8
  • Average mass518.943 Da
  • Monoisotopic mass518.145569 Da
  • ChemSpider ID120554259

More details:

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

3-{[(6-Chlor-5,8-dimethoxy-4-oxo-1,4-dihydro-3-chinolinyl)carbonyl]amino}-3-(3-methoxy-4-propoxyphenyl)propansäure [German] [ACD/IUPAC Name]
3-{[(6-Chloro-5,8-dimethoxy-4-oxo-1,4-dihydro-3-quinolinyl)carbonyl]amino}-3-(3-methoxy-4-propoxyphenyl)propanoic acid [ACD/IUPAC Name]
Acide 3-{[(6-chloro-5,8-diméthoxy-4-oxo-1,4-dihydro-3-quinoléinyl)carbonyl]amino}-3-(3-méthoxy-4-propoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[(6-chloro-1,4-dihydro-5,8-dimethoxy-4-oxo-3-quinolinyl)carbonyl]amino]-3-methoxy-4-propoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.9±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 11.06
ACD/KOC (pH 5.5): 78.43
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 132 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 390.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement