ChemSpider 2D Image | 3-{[(2R)-1-(~2~H_3_)Methyl-2-pyrrolidinyl](~2~H_2_)methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole | C22H21D5N2O2S

3-{[(2R)-1-(2H3)Methyl-2-pyrrolidinyl](2H2)methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole

  • Molecular FormulaC22H21D5N2O2S
  • Average mass387.550 Da
  • Monoisotopic mass387.202881 Da
  • ChemSpider ID48062574

  • 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

1H-Indole, 3-[[(2R)-1-(methyl-d3)-2-pyrrolidinyl]methyl-d2]-5-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]
3-{[(2R)-1-(2H3)Methyl-2-pyrrolidinyl](2H2)methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indol [German] [ACD/IUPAC Name]
3-{[(2R)-1-(2H3)Methyl-2-pyrrolidinyl](2H2)methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole [ACD/IUPAC Name]
3-{[(2R)-1-(2H3)Méthyl-2-pyrrolidinyl](2H2)méthyl}-5-[2-(phénylsulfonyl)éthyl]-1H-indole [French] [ACD/IUPAC Name]
1126745-65-0 [RN]
5-[2-(benzenesulfonyl)ethyl]-3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]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: 613.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.8±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.98
Polar Surface Area: 62 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

Click to predict properties on the Chemicalize site


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