ChemSpider 2D Image | Benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H26N2O6

Benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H26N2O6
  • Average mass510.537 Da
  • Monoisotopic mass510.179077 Da
  • ChemSpider ID2165679

More details:

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

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-, phenylmethyl ester [ACD/Index Name]
4-(4-Hydroxy-3-nitrophényl)-2-méthyl-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Benzyl-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
297159-40-1 [RN]
4-(4-Hydroxy-3-nitro-phenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid benzyl ester
6238-13-7 [RN]
benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

BIM-0047562.P001 [DBID]
CBMicro_047511 [DBID]
ChemDiv1_006220 [DBID]
EU-0074004 [DBID]
MixCom6_002455 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 676.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.9±3.0 kJ/mol
    Flash Point: 362.7±31.5 °C
    Index of Refraction: 1.681
    Molar Refractivity: 139.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): 5.11
    ACD/BCF (pH 5.5): 4469.24
    ACD/KOC (pH 5.5): 13983.54
    ACD/LogD (pH 7.4): 4.31
    ACD/BCF (pH 7.4): 700.35
    ACD/KOC (pH 7.4): 2191.29
    Polar Surface Area: 121 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 68.0±5.0 dyne/cm
    Molar Volume: 369.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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