ChemSpider 2D Image | Ethyl 2-[(7Z)-7-(2-chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate | C27H25Cl2N3O2S

Ethyl 2-[(7Z)-7-(2-chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID34259714

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(7Z)-7-(2-Chlorobenzylidène)-3-(2-chlorophényl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[(7Z)-3-(2-chlorophenyl)-7-[(2-chlorophenyl)methylene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[(7Z)-7-(2-chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(7Z)-7-(2-chlorbenzyliden)-3-(2-chlorphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 67132.95
ACD/KOC (pH 5.5): 99190.15
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67258.16
ACD/KOC (pH 7.4): 99375.13
Polar Surface Area: 83 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 379.5±7.0 cm3

Click to predict properties on the Chemicalize site


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