ChemSpider 2D Image | {2-[(E)-{[({4-(4-Methoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}acetic acid | C30H31N5O5S

{2-[(E)-{[({4-(4-Methoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}acetic acid

  • Molecular FormulaC30H31N5O5S
  • Average mass573.663 Da
  • Monoisotopic mass573.204590 Da
  • ChemSpider ID7928217

  • Double-bond stereo - Double-bond stereo

More details:

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

{2-[(E)-{[({4-(4-Methoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}acetic acid [ACD/IUPAC Name]
{2-[(E)-{[({4-(4-Methoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1E)-[2-(carboxymethoxy)phenyl]methylene]hydrazide [ACD/Index Name]
Acide {2-[(E)-{[2-({4-(4-méthoxyphényl)-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]hydrazono}méthyl]phénoxy}acétique [French] [ACD/IUPAC Name]
2-{2-[(1E)-2-(2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}acetylamino)-2-azavinyl]phenoxy}acetic acid

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: 1.626
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 18.23
ACD/KOC (pH 5.5): 55.85
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 3.49
Polar Surface Area: 153 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 451.5±7.0 cm3

Click to predict properties on the Chemicalize site


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