ChemSpider 2D Image | 3-{[(2R)-1-(~2~H_3_)Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-7H-indole | C22H23D3N2O2S

3-{[(2R)-1-(2H3)Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-7H-indole

  • Molecular FormulaC22H23D3N2O2S
  • Average mass385.538 Da
  • Monoisotopic mass385.190338 Da
  • ChemSpider ID114551265

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-{[(2R)-1-(2H3)Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-7H-indol [German] [ACD/IUPAC Name]
3-{[(2R)-1-(2H3)Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-7H-indole [ACD/IUPAC Name]
3-{[(2R)-1-(2H3)Méthyl-2-pyrrolidinyl]méthyl}-5-[2-(phénylsulfonyl)éthyl]-7H-indole [French] [ACD/IUPAC Name]
7H-Indole, 3-[[(2R)-1-(methyl-d3)-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 58 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

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