ChemSpider 2D Image | Ethyl 6-chloro-3-{[1-(4-chlorobenzyl)-1H-tetrazol-5-yl](pentylamino)methyl}-1H-indole-2-carboxylate | C25H28Cl2N6O2

Ethyl 6-chloro-3-{[1-(4-chlorobenzyl)-1H-tetrazol-5-yl](pentylamino)methyl}-1H-indole-2-carboxylate

  • Molecular FormulaC25H28Cl2N6O2
  • Average mass515.435 Da
  • Monoisotopic mass514.165100 Da
  • ChemSpider ID76754932

More details:

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

1H-Indole-2-carboxylic acid, 6-chloro-3-[[1-[(4-chlorophenyl)methyl]-1H-tetrazol-5-yl](pentylamino)methyl]-, ethyl ester [ACD/Index Name]
6-Chloro-3-{[1-(4-chlorobenzyl)-1H-tétrazol-5-yl](pentylamino)méthyl}-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-chloro-3-{[1-(4-chlorobenzyl)-1H-tetrazol-5-yl](pentylamino)methyl}-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-6-chlor-3-{[1-(4-chlorbenzyl)-1H-tetrazol-5-yl](pentylamino)methyl}-1H-indol-2-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: 730.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 26631.38
ACD/KOC (pH 5.5): 41452.83
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55226.31
ACD/KOC (pH 7.4): 85962.02
Polar Surface Area: 98 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 375.5±7.0 cm3

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