ChemSpider 2D Image | Ethyl 6-chloro-3-{(cyclopentylamino)[1-(3-phenoxyphenyl)-1H-tetrazol-5-yl]methyl}-1H-indole-2-carboxylate | C30H29ClN6O3

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

  • Molecular FormulaC30H29ClN6O3
  • Average mass557.043 Da
  • Monoisotopic mass556.198975 Da
  • ChemSpider ID76742331

More details:

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

1H-Indole-2-carboxylic acid, 6-chloro-3-[(cyclopentylamino)[1-(3-phenoxyphenyl)-1H-tetrazol-5-yl]methyl]-, ethyl ester [ACD/Index Name]
6-Chloro-3-{(cyclopentylamino)[1-(3-phénoxyphényl)-1H-tétrazol-5-yl]méthyl}-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-chloro-3-{(cyclopentylamino)[1-(3-phenoxyphenyl)-1H-tetrazol-5-yl]methyl}-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-6-chlor-3-{(cyclopentylamino)[1-(3-phenoxyphenyl)-1H-tetrazol-5-yl]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: 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: 417.7±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 13382.61
ACD/KOC (pH 5.5): 26896.31
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22583.28
ACD/KOC (pH 7.4): 45387.79
Polar Surface Area: 107 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 396.7±7.0 cm3

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