ChemSpider 2D Image | Isobutyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H32N2O7

Isobutyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID2387937

More details:

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

3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, 2-methylpropyl ester [ACD/Index Name]
7-(3,4-Diméthoxyphényl)-2-méthyl-4-(3-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Isobutyl-7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

BAS 01885132 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2764.58
ACD/KOC (pH 5.5): 10118.41
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2764.63
ACD/KOC (pH 7.4): 10118.56
Polar Surface Area: 120 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 406.2±5.0 cm3

Click to predict properties on the Chemicalize site


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