ChemSpider 2D Image | Isopropyl (4S,7R)-7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C27H28N2O6

Isopropyl (4S,7R)-7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC27H28N2O6
  • Average mass476.521 Da
  • Monoisotopic mass476.194733 Da
  • ChemSpider ID62673393

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,7R)-7-(2-Méthoxyphényl)-2-méthyl-4-(3-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-, 1-methylethyl ester, (4S,7R)- [ACD/Index Name]
Isopropyl (4S,7R)-7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Isopropyl-(4S,7R)-7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.2±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2321.84
ACD/KOC (pH 5.5): 8930.08
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2321.90
ACD/KOC (pH 7.4): 8930.30
Polar Surface Area: 110 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 368.6±5.0 cm3

Click to predict properties on the Chemicalize site


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