ChemSpider 2D Image | 6-[(E)-2-(4-Chlorophenyl)vinyl]-3-[1-(methylsulfonyl)-3-piperidinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C17H18ClN5O2S2

6-[(E)-2-(4-Chlorophenyl)vinyl]-3-[1-(methylsulfonyl)-3-piperidinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC17H18ClN5O2S2
  • Average mass423.940 Da
  • Monoisotopic mass423.059052 Da
  • ChemSpider ID67866276

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-[(E)-2-(4-chlorophenyl)ethenyl]-3-[1-(methylsulfonyl)-3-piperidinyl]- [ACD/Index Name]
6-[(E)-2-(4-Chlorophenyl)vinyl]-3-[1-(methylsulfonyl)-3-piperidinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-[(E)-2-(4-Chlorophényl)vinyl]-3-[1-(méthylsulfonyl)-3-pipéridinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
6-[(E)-2-(4-Chlorphenyl)vinyl]-3-[1-(methylsulfonyl)-3-piperidinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-[(E)-2-(4-chlorophenyl)ethenyl]-3-[1-(methylsulfonyl)piperidin-3-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MLEBWDICYJMQHF-RMKNXTFCSA-N

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.92
ACD/KOC (pH 5.5): 1805.97
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.93
ACD/KOC (pH 7.4): 1805.98
Polar Surface Area: 117 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 271.1±7.0 cm3

Click to predict properties on the Chemicalize site


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