ChemSpider 2D Image | sec-Butyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C31H37NO5

sec-Butyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID2139406

More details:

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

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-, 1-methylpropyl ester [ACD/Index Name]
4-(3-Méthoxy-4-propoxyphényl)-2-méthyl-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de sec-butyle [French] [ACD/IUPAC Name]
sec-Butyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
sec-Butyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
sec-Butyl-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
354820-40-9 [RN]
butan-2-yl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.6±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11726.75
ACD/KOC (pH 5.5): 28464.45
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11727.07
ACD/KOC (pH 7.4): 28465.23
Polar Surface Area: 74 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 427.6±5.0 cm3

Click to predict properties on the Chemicalize site


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