ChemSpider 2D Image | 2-[(7E)-7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate | C34H32N4O4

2-[(7E)-7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

  • Molecular FormulaC34H32N4O4
  • Average mass560.642 Da
  • Monoisotopic mass560.242371 Da
  • ChemSpider ID4848232

  • Double-bond stereo - Double-bond stereo

More details:

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

1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-, 2-[(7E)-3,3a,4,5,6,7-hexahydro-3-phenyl-7-(phenylmethylene)-2H-indazol-2-yl]-2-oxoethyl ester [ACD/Index Name]
1-Éthyl-7-méthyl-4-oxo-1,4-dihydro-1,8-naphtyridine-3-carboxylate de 2-[(7E)-7-benzylidène-3-phényl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(7E)-7-Benzyliden-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-carboxylat [German] [ACD/IUPAC Name]
2-[(7E)-7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate [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: 739.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 161.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4205.51
ACD/KOC (pH 5.5): 13527.88
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4352.41
ACD/KOC (pH 7.4): 14000.42
Polar Surface Area: 92 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 435.4±7.0 cm3

Click to predict properties on the Chemicalize site


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