ChemSpider 2D Image | TCMDC-141077 | C27H33N3O3S2

TCMDC-141077

  • Molecular FormulaC27H33N3O3S2
  • Average mass511.699 Da
  • Monoisotopic mass511.196320 Da
  • ChemSpider ID24580753

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]phenyl]- [ACD/Index Name]
N-[3-({(2R)-2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl}sulfonyl)phenyl]-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-[3-({(2R)-2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl}sulfonyl)phenyl]-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-[3-({(2R)-2-[2-(4-Méthyl-1-pipéridinyl)éthyl]-1-pyrrolidinyl}sulfonyl)phényl]-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
N-[3-({(2R)-2-[2-(4-Methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl}sulfonyl)phenyl]-1-benzothiophene-2-carboxamide
TCMDC-141077
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.829780384 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 13.48
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 42.83
ACD/KOC (pH 7.4): 133.98
Polar Surface Area: 106 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 400.6±3.0 cm3

Click to predict properties on the Chemicalize site


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