Found 26 results

Search term: MF = 'C_{27}H_{31}NO_{3}S_{2}'
ChemSpider 2D Image | Ethyl (4R,7S)-4-[5-ethyl-2-(ethylsulfanyl)-3-thienyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C27H31NO3S2

Ethyl (4R,7S)-4-[5-ethyl-2-(ethylsulfanyl)-3-thienyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC27H31NO3S2
  • Average mass481.670 Da
  • Monoisotopic mass481.174530 Da
  • ChemSpider ID62306825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7S)-4-[5-Éthyl-2-(éthylsulfanyl)-3-thiényl]-2-méthyl-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-[5-ethyl-2-(ethylthio)-3-thienyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, ethyl ester, (4R,7S)- [ACD/Index Name]
Ethyl (4R,7S)-4-[5-ethyl-2-(ethylsulfanyl)-3-thienyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-(4R,7S)-4-[5-ethyl-2-(ethylsulfanyl)-3-thienyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC 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: 607.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23913.39
ACD/KOC (pH 5.5): 47403.80
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23914.10
ACD/KOC (pH 7.4): 47405.21
Polar Surface Area: 109 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

Click to predict properties on the Chemicalize site


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