ChemSpider 2D Image | 4-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl 2-methyl-2-propanyl carbonate | C27H37N7O6S

4-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl 2-methyl-2-propanyl carbonate

  • Molecular FormulaC27H37N7O6S
  • Average mass587.691 Da
  • Monoisotopic mass587.252625 Da
  • ChemSpider ID81867228

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl 2-methyl-2-propanyl carbonate [ACD/IUPAC Name]
4-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl-2-methyl-2-propanylcarbonat [German] [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)-[4-[[(1,1-dimethylethoxy)carbonyl]oxy]-3,5-dimethoxyphenyl]methylene]hydrazide [ACD/Index Name]
Carbonate de 4-{(Z)-[(2-{[5-(1,5-diméthyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)hydrazono]méthyl}-2,6-diméthoxyphényle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 156.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 798.66
ACD/KOC (pH 5.5): 4160.16
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 798.45
ACD/KOC (pH 7.4): 4159.09
Polar Surface Area: 169 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 458.6±7.0 cm3

Click to predict properties on the Chemicalize site


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