ChemSpider 2D Image | 1-(4-Chlorobenzyl)-3-{1-[(4-methoxyphenyl)sulfonyl]-4-piperidinyl}-2-methyl-1H-indole | C28H29ClN2O3S

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

  • Molecular FormulaC28H29ClN2O3S
  • Average mass509.060 Da
  • Monoisotopic mass508.158752 Da
  • ChemSpider ID20388352

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.5±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72898.02
ACD/KOC (pH 5.5): 105271.95
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 72898.02
ACD/KOC (pH 7.4): 105271.95
Polar Surface Area: 60 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 396.2±7.0 cm3

Click to predict properties on the Chemicalize site


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