ChemSpider 2D Image | N-[4-(1-Azepanylsulfonyl)phenyl]-2-({5-[(2E)-2-benzylidenehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C23H27N7O3S2

N-[4-(1-Azepanylsulfonyl)phenyl]-2-({5-[(2E)-2-benzylidenehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID62356786

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]-2-[[5-[(2E)-2-(phenylmethylene)hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-[4-(1-Azepanylsulfonyl)phenyl]-2-({5-[(2E)-2-benzylidenehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-[4-(1-Azépanylsulfonyl)phényl]-2-({5-[(2E)-2-benzylidènehydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
N-[4-(1-Azepanylsulfonyl)phenyl]-2-({5-[(2E)-2-benzylidenhydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC 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: 1.701
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 814.54
ACD/KOC (pH 5.5): 4215.07
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 812.30
ACD/KOC (pH 7.4): 4203.47
Polar Surface Area: 166 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 359.5±7.0 cm3

Click to predict properties on the Chemicalize site


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