ChemSpider 2D Image | 4-{[({5-[(2,4-Dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide | C26H23Cl2N5O3S

4-{[({5-[(2,4-Dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide

  • Molecular FormulaC26H23Cl2N5O3S
  • Average mass556.464 Da
  • Monoisotopic mass555.089844 Da
  • ChemSpider ID1761063

More details:

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

4-{[({5-[(2,4-Dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide [ACD/IUPAC Name]
4-{[({5-[(2,4-Dichlorphenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamid [German] [ACD/IUPAC Name]
4-{[2-({5-[(2,4-Dichlorophénoxy)méthyl]-4-(2,5-diméthylphényl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]- [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: 1.676
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8434.41
ACD/KOC (pH 5.5): 22483.28
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8434.34
ACD/KOC (pH 7.4): 22483.10
Polar Surface Area: 137 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 390.6±7.0 cm3

Click to predict properties on the Chemicalize site


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