ChemSpider 2D Image | Methyl 3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolinyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alaninate | C30H34Cl2N2O4S

Methyl 3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolinyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alaninate

  • Molecular FormulaC30H34Cl2N2O4S
  • Average mass589.573 Da
  • Monoisotopic mass588.161621 Da
  • ChemSpider ID21865566

More details:

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

3-[2-(2,6-Dichlorophényl)-4-(phénylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinoléinyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alaninate de méthyle [French] [ACD/IUPAC Name]
6-Quinolinepropanoic acid, 2-(2,6-dichlorophenyl)-α-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4,4a,8a-hexahydro-4-(phenylthio)-, methyl ester [ACD/Index Name]
Methyl 3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolinyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alaninate [ACD/IUPAC Name]
Methyl-3-[2-(2,6-dichlorphenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-chinolinyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alaninat [German] [ACD/IUPAC Name]
methyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4-tetrahydro-6-quinolinyl]propanoate
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydroquinolin-6-yl]alaninate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 6572.01
ACD/KOC (pH 5.5): 8045.28
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 105055.10
ACD/KOC (pH 7.4): 128605.66
Polar Surface Area: 102 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


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