ChemSpider 2D Image | [(7E)-7-(4-Ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanone | C35H38N4O6

[(7E)-7-(4-Ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanone

  • Molecular FormulaC35H38N4O6
  • Average mass610.699 Da
  • Monoisotopic mass610.279114 Da
  • ChemSpider ID5016303

  • Double-bond stereo - Double-bond stereo

More details:

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

[(7E)-7-(4-Ethoxybenzyliden)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanon [German] [ACD/IUPAC Name]
[(7E)-7-(4-Ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanone [ACD/IUPAC Name]
[(7E)-7-(4-Éthoxybenzylidène)-3-(4-éthoxyphényl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(7E)-3-(4-ethoxyphenyl)-7-[(4-ethoxyphenyl)methylene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]- [ACD/Index Name]
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
[7-(4-Ethoxy-benzylidene)-3-(4-ethoxy-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-(4-morpholin-4-yl-3-nitro-phenyl)-methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.2±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 169.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23393.71
ACD/KOC (pH 5.5): 46654.94
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23410.44
ACD/KOC (pH 7.4): 46688.30
Polar Surface Area: 109 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 470.4±7.0 cm3

Click to predict properties on the Chemicalize site


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