ChemSpider 2D Image | 2-(Ethylsulfanyl)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H35NO4S

2-(Ethylsulfanyl)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID2139503

More details:






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

2-(Ethylsulfanyl)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-(Ethylsulfanyl)ethyl-2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
2-Méthyl-5-oxo-7-phényl-4-(2-propoxyphényl)-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-(éthylsulfanyl)éthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-, 2-(ethylthio)ethyl ester [ACD/Index Name]
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylthio)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
2-(ethylthio)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-ETHYLSULFANYLETHYL 2-METHYL-5-OXO-7-PHENYL-4-(2-PROPOXYPHENYL)-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE
2-ethylthioethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,6,7,8-pentahydroquinoline-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 656.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.0±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22972.08
ACD/KOC (pH 5.5): 46060.50
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22972.84
ACD/KOC (pH 7.4): 46062.02
Polar Surface Area: 90 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 419.1±5.0 cm3

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