ChemSpider 2D Image | N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidinecarboxamide | C20H26N2O4S3

N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidinecarboxamide

  • Molecular FormulaC20H26N2O4S3
  • Average mass454.626 Da
  • Monoisotopic mass454.105469 Da
  • ChemSpider ID68530440

More details:

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

4-Piperidinecarboxamide, N-[2-[(2-furanylmethyl)thio]ethyl]-1-[[4-(methylthio)phenyl]sulfonyl]- [ACD/Index Name]
N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{2-[(2-Furylmethyl)sulfanyl]ethyl}-1-{[4-(methylsulfanyl)phenyl]sulfonyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{2-[(2-Furylméthyl)sulfanyl]éthyl}-1-{[4-(méthylsulfanyl)phényl]sulfonyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(2-{[(FURAN-2-YL)METHYL]SULFANYL}ETHYL)-1-[4-(METHYLSULFANYL)BENZENESULFONYL]PIPERIDINE-4-CARBOXAMIDE
N-{2-[(FURAN-2-YLMETHYL)SULFANYL]ETHYL}-1-[4-(METHYLSULFANYL)BENZENESULFONYL]PIPERIDINE-4-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.71
ACD/KOC (pH 5.5): 1646.19
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.71
ACD/KOC (pH 7.4): 1646.19
Polar Surface Area: 139 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


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