ChemSpider 2D Image | 2-({5-[(2-Chlorophenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-difluorophenyl)acetamide | C22H23ClF2N4O2S

2-({5-[(2-Chlorophenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-difluorophenyl)acetamide

  • Molecular FormulaC22H23ClF2N4O2S
  • Average mass480.958 Da
  • Monoisotopic mass480.119843 Da
  • ChemSpider ID22085239

More details:

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

2-({5-[(2-Chlorophenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-difluorophenyl)acetamide [ACD/IUPAC Name]
2-({5-[(2-Chlorophénoxy)méthyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-difluorophényl)acétamide [French] [ACD/IUPAC Name]
2-({5-[(2-Chlorphenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-difluorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-4H-1,2,4-triazol-3-yl]thio]-N-(3,5-difluorophenyl)- [ACD/Index Name]

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: 1.607
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11201.42
ACD/KOC (pH 5.5): 27545.86
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11200.34
ACD/KOC (pH 7.4): 27543.20
Polar Surface Area: 94 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 357.5±7.0 cm3

Click to predict properties on the Chemicalize site


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