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

sec-Butyl 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID2387980

More details:

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

3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 1-methylpropyl ester [ACD/Index Name]
7-(3,4-Diméthoxyphényl)-4-(4-éthylphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de sec-butyle [French] [ACD/IUPAC Name]
sec-Butyl 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
sec-Butyl-7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
[(2S)-butan-2-yl] (4R,7S)-7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
1005063-20-6 [RN]
AC1MJCOH
AGN-PC-094O7X
butan-2-yl 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MCULE-3665992553
More...

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

AG-690/40750552 [DBID]
BAS 01885292 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.6±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12171.13
ACD/KOC (pH 5.5): 29232.38
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12171.55
ACD/KOC (pH 7.4): 29233.38
Polar Surface Area: 74 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

Click to predict properties on the Chemicalize site


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