ChemSpider 2D Image | 2-{[4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide | C21H23Cl2N5O2S

2-{[4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID31548607

More details:

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

2-{[4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(2,4-dichlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(4-méthoxyphényl)-2-méthylpropyl]acétamide [French] [ACD/IUPAC Name]
2-{[4-Amino-5-(2,4-dichlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[1-(4-methoxyphenyl)-2-methylpropyl]- [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: 1.657
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1353.97
ACD/KOC (pH 5.5): 6070.19
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1353.97
ACD/KOC (pH 7.4): 6070.22
Polar Surface Area: 120 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 340.8±7.0 cm3

Click to predict properties on the Chemicalize site


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