ChemSpider 2D Image | 3-{1-(4-Chlorobenzyl)-5-isopropyl-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2,2-dimethylpropanoate | C27H33ClNO2S

3-{1-(4-Chlorobenzyl)-5-isopropyl-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2,2-dimethylpropanoate

  • Molecular FormulaC27H33ClNO2S
  • Average mass471.075 Da
  • Monoisotopic mass470.192596 Da
  • ChemSpider ID34231938

  • Charge - Charge

More details:

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

1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(1-methylethyl)-, ion(1-) [ACD/Index Name]
3-{1-(4-Chlorbenzyl)-5-isopropyl-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}pivalat [German] [ACD/IUPAC Name]
3-{1-(4-Chlorobenzyl)-5-isopropyl-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2,2-dimethylpropanoate [ACD/IUPAC Name]
3-{1-(4-Chlorobenzyl)-5-isopropyl-3-[(2-méthyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2,2-diméthylpropanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 614.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 85495.91
ACD/KOC (pH 5.5): 68742.22
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 1362.64
ACD/KOC (pH 7.4): 1095.62
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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