ChemSpider 2D Image | 2-Methyl-2-propanyl 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-hydroxybenzoate | C26H33N7O5S

2-Methyl-2-propanyl 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-hydroxybenzoate

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID81870044

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl 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-hydroxybenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-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-hydroxybenzoat [German] [ACD/IUPAC Name]
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-hydroxybenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(Z)-[2-[2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]-4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index 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: 148.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 605.44
ACD/KOC (pH 5.5): 3296.89
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 61.42
ACD/KOC (pH 7.4): 334.46
Polar Surface Area: 171 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 401.9±7.0 cm3

Click to predict properties on the Chemicalize site


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