ChemSpider 2D Image | 2-[(4-Amino-5-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide | C21H23Cl2N5O2S

2-[(4-Amino-5-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide

  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID31258993

More details:

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

2-[(4-Amino-5-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide [ACD/IUPAC Name]
2-[(4-Amino-5-{[4-(2-méthyl-2-propanyl)phénoxy]méthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophényl)acétamide [French] [ACD/IUPAC Name]
2-[(4-Amino-5-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2,6-dichlorophenyl)- [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: 1.648
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2435.86
ACD/KOC (pH 5.5): 9241.79
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2435.18
ACD/KOC (pH 7.4): 9239.23
Polar Surface Area: 120 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site


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