ChemSpider 2D Image | 2-(3-Chloro-4-fluorophenoxy)-N-[(4-isopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]acetamide | C14H16ClFN4O2S

2-(3-Chloro-4-fluorophenoxy)-N-[(4-isopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]acetamide

  • Molecular FormulaC14H16ClFN4O2S
  • Average mass358.819 Da
  • Monoisotopic mass358.066650 Da
  • ChemSpider ID65112765

More details:

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

2-(3-Chlor-4-fluorphenoxy)-N-[(4-isopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]acetamid [German] [ACD/IUPAC Name]
2-(3-Chloro-4-fluorophenoxy)-N-[(4-isopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]acetamide [ACD/IUPAC Name]
2-(3-Chloro-4-fluorophénoxy)-N-[(4-isopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)méthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-(3-chloro-4-fluorophenoxy)-N-[[5-mercapto-4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]methyl]- [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: 1.632
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 6.07
ACD/KOC (pH 5.5): 70.07
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 108 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 248.8±7.0 cm3

Click to predict properties on the Chemicalize site


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