ChemSpider 2D Image | Isopropyl (4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetate | C26H33N7O5S

Isopropyl (4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetate

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID81868934

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{(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}phénoxy)acétate d'isopropyle [French] [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)-[4-[2-(1-methylethoxy)-2-oxoethoxy]phenyl]methylene]hydrazide [ACD/Index Name]
Isopropyl (4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetate [ACD/IUPAC Name]
Isopropyl-(4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetat [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: 1.650
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.65
ACD/KOC (pH 5.5): 1624.29
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.63
ACD/KOC (pH 7.4): 1624.11
Polar Surface Area: 160 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

Click to predict properties on the Chemicalize site


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