ChemSpider 2D Image | [(7E)-7-(4-Methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanone | C33H34N4O6

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

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID5008527

  • Double-bond stereo - Double-bond stereo

More details:

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

[(7E)-7-(4-Methoxybenzyliden)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanon [German] [ACD/IUPAC Name]
[(7E)-7-(4-Methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanone [ACD/IUPAC Name]
[(7E)-7-(4-Méthoxybenzylidène)-3-(4-méthoxyphényl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(7E)-3,3a,4,5,6,7-hexahydro-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylene]-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]- [ACD/Index Name]
[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
[7-(4-Methoxy-benzylidene)-3-(4-methoxy-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: 785.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.9±35.7 °C
Index of Refraction: 1.654
Molar Refractivity: 160.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4486.91
ACD/KOC (pH 5.5): 14306.45
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4491.39
ACD/KOC (pH 7.4): 14320.74
Polar Surface Area: 109 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 438.4±7.0 cm3

Click to predict properties on the Chemicalize site


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