ChemSpider 2D Image | 2-({5-[(2E)-2-Benzylidenehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-{[(3R)-3-methyl-1-piperidinyl]sulfonyl}phenyl)acetamide | C23H27N7O3S2

2-({5-[(2E)-2-Benzylidenehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-{[(3R)-3-methyl-1-piperidinyl]sulfonyl}phenyl)acetamide

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID62324175

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({5-[(2E)-2-Benzylidenehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-{[(3R)-3-methyl-1-piperidinyl]sulfonyl}phenyl)acetamide [ACD/IUPAC Name]
2-({5-[(2E)-2-Benzylidènehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-{[(3R)-3-méthyl-1-pipéridinyl]sulfonyl}phényl)acétamide [French] [ACD/IUPAC Name]
2-({5-[(2E)-2-Benzylidenhydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-{[(3R)-3-methyl-1-piperidinyl]sulfonyl}phenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, N-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-[[5-[(2E)-2-(phenylmethylene)hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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: 1.702
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1066.30
ACD/KOC (pH 5.5): 5111.24
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1063.36
ACD/KOC (pH 7.4): 5097.17
Polar Surface Area: 166 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 358.6±7.0 cm3

Click to predict properties on the Chemicalize site


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