ChemSpider 2D Image | 1-(3-Chlorobenzyl)-2-methyl-3-(1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-4-piperidinyl)-1H-indole | C31H35ClN2O2S

1-(3-Chlorobenzyl)-2-methyl-3-(1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-4-piperidinyl)-1H-indole

  • Molecular FormulaC31H35ClN2O2S
  • Average mass535.140 Da
  • Monoisotopic mass534.210754 Da
  • ChemSpider ID20388477

More details:

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

1-(3-Chlorbenzyl)-2-methyl-3-(1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-4-piperidinyl)-1H-indol [German] [ACD/IUPAC Name]
1-(3-Chlorobenzyl)-2-methyl-3-(1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-4-piperidinyl)-1H-indole [ACD/IUPAC Name]
1-(3-Chlorobenzyl)-2-méthyl-3-(1-{[4-(2-méthyl-2-propanyl)phényl]sulfonyl}-4-pipéridinyl)-1H-indole [French] [ACD/IUPAC Name]
1H-Indole, 1-[(3-chlorophenyl)methyl]-3-[1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-4-piperidinyl]-2-methyl- [ACD/Index Name]
3-{1-[(4-tert-butylphenyl)sulfonyl]piperidin-4-yl}-1-(3-chlorobenzyl)-2-methyl-1H-indole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 154.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 8.12
ACD/BCF (pH 5.5): 874736.75
ACD/KOC (pH 5.5): 623397.44
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 874736.75
ACD/KOC (pH 7.4): 623397.44
Polar Surface Area: 51 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 441.5±7.0 cm3

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