ChemSpider 2D Image | N-(2-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenyl)-4-methylbenzenesulfonamide | C28H32N8O4S2

N-(2-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenyl)-4-methylbenzenesulfonamide

  • Molecular FormulaC28H32N8O4S2
  • Average mass608.735 Da
  • Monoisotopic mass608.198792 Da
  • ChemSpider ID81867837

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[2-[[(4-methylphenyl)sulfonyl]amino]phenyl]methylene]hydrazide [ACD/Index Name]
N-(2-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenyl)-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-(2-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenyl)-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-{(Z)-[(2-{[5-(1,5-Diméthyl-1H-pyrazol-3-yl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)hydrazono]méthyl}phényl)-4-méthylbenzènesulfonamide [French] [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: 1.699
Molar Refractivity: 164.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 691.92
ACD/KOC (pH 5.5): 3749.30
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 510.54
ACD/KOC (pH 7.4): 2766.47
Polar Surface Area: 179 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 425.7±7.0 cm3

Click to predict properties on the Chemicalize site


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