ChemSpider 2D Image | Methyl 4-{(Z)-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate | C30H31N5O3S

Methyl 4-{(Z)-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID21502491

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-{[2-({4-(4-Méthylphényl)-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]hydrazono}méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(Z)-[2-[2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(Z)-{[({4-(4-methylphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]benzoate [ACD/IUPAC Name]
Methyl 4-{(Z)-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
Methyl-4-[(Z)-{[({4-(4-methylphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]benzoat [German] [ACD/IUPAC Name]
(Z)-methyl 4-((2-(2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
4-({2-[5-(4-tert-Butyl-phenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid methyl ester
488107-82-0 [RN]
methyl 4-{(Z)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 157.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.51
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62790.79
ACD/KOC (pH 5.5): 94604.56
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 62785.06
ACD/KOC (pH 7.4): 94595.95
Polar Surface Area: 124 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 446.9±7.0 cm3

Click to predict properties on the Chemicalize site


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