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

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

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID2388010

More details:

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

332928-79-7 [RN]
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-(4-nitrophenyl)-5-oxo-, butyl ester [ACD/Index Name]
7-(3,4-Diméthoxyphényl)-2-méthyl-4-(4-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de butyle [French] [ACD/IUPAC Name]
Butyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Butyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Butyl-7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
7-(3,4-Dimethoxy-phenyl)-2-methyl-4-(4-nitro-phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid butyl ester
MFCD02732055

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

BAS 01885360 [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: 668.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.1±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3140.41
ACD/KOC (pH 5.5): 11085.01
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3140.45
ACD/KOC (pH 7.4): 11085.15
Polar Surface Area: 120 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 405.6±5.0 cm3

Click to predict properties on the Chemicalize site


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