ChemSpider 2D Image | 2-(Ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C27H30N2O7S2

2-(Ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID3163177

More details:

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

2-(Ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-(Ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(Ethylsulfanyl)ethyl-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-(2-thienyl)-, 2-(ethylthio)ethyl ester [ACD/Index Name]
4-(3-Éthoxy-4-hydroxy-5-nitrophényl)-2-méthyl-5-oxo-7-(2-thiényl)-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-(éthylsulfanyl)éthyle [French] [ACD/IUPAC Name]
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylthio)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-ethylthioethyl 4-(5-ethoxy-4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,6,7,8-pentahydroquinoline-3-carboxylate
4-(3-Ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-thiophen-2-yl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-ethylsulfanyl-ethyl ester

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

A3016/0127135 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 383.3±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3513.60
ACD/KOC (pH 5.5): 11856.08
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 775.45
ACD/KOC (pH 7.4): 2616.65
Polar Surface Area: 184 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 401.0±5.0 cm3

Click to predict properties on the Chemicalize site


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