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

[7-(2-Methoxybenzylidene)-3-(2-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 ID3387109

More details:

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

[7-(2-Methoxybenzyliden)-3-(2-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanon [German] [ACD/IUPAC Name]
[7-(2-Methoxybenzylidene)-3-(2-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]methanone [ACD/IUPAC Name]
[7-(2-Méthoxybenzylidène)-3-(2-méthoxyphényl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3,3a,4,5,6,7-hexahydro-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methylene]-2H-indazol-2-yl][4-(4-morpholinyl)-3-nitrophenyl]- [ACD/Index 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: 767.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.6±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: 5.63
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4661.50
ACD/KOC (pH 5.5): 14706.75
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4661.76
ACD/KOC (pH 7.4): 14707.56
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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