ChemSpider 2D Image | 2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[3-iodo-4-(2-propyn-1-yloxy)phenyl]methylene}acetohydrazide | C23H26IN7O2S

2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[3-iodo-4-(2-propyn-1-yloxy)phenyl]methylene}acetohydrazide

  • Molecular FormulaC23H26IN7O2S
  • Average mass591.468 Da
  • Monoisotopic mass591.091309 Da
  • ChemSpider ID81865210

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[3-iod-4-(2-propin-1-yloxy)phenyl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[3-iodo-4-(2-propyn-1-yloxy)phenyl]methylene}acetohydrazide [ACD/IUPAC Name]
2-{[5-(1,5-Diméthyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[3-iodo-4-(2-propyn-1-yloxy)phényl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-iodo-4-(2-propyn-1-yloxy)phenyl]methylene]hydrazide [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 145.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2188.89
ACD/KOC (pH 5.5): 8561.06
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2188.51
ACD/KOC (pH 7.4): 8559.58
Polar Surface Area: 125 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 393.6±7.0 cm3

Click to predict properties on the Chemicalize site


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