ChemSpider 2D Image | 3-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-4-methoxyphenyl methyl carbonate | C24H29N7O6S

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

  • Molecular FormulaC24H29N7O6S
  • Average mass543.595 Da
  • Monoisotopic mass543.190002 Da
  • ChemSpider ID81869369

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-4-methoxyphenyl methyl carbonate [ACD/IUPAC Name]
3-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-4-methoxyphenyl-methylcarbonat [German] [ACD/IUPAC Name]
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-methoxy-5-[(methoxycarbonyl)oxy]phenyl]methylene]hydrazide [ACD/Index Name]
Carbonate de 3-{(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}-4-méthoxyphényle et de méthyle [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: 1.659
Molar Refractivity: 140.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.43
ACD/KOC (pH 5.5): 584.13
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.42
ACD/KOC (pH 7.4): 584.02
Polar Surface Area: 169 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 381.0±7.0 cm3

Click to predict properties on the Chemicalize site


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