ChemSpider 2D Image | 2-{[5-(2-Chlorophenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]propanamide | C22H22ClF3N4O2S

2-{[5-(2-Chlorophenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]propanamide

  • Molecular FormulaC22H22ClF3N4O2S
  • Average mass498.949 Da
  • Monoisotopic mass498.110413 Da
  • ChemSpider ID21989854

More details:

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

2-{[5-(2-Chlorophenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]propanamide [ACD/IUPAC Name]
2-{[5-(2-Chlorophényl)-4-(3-méthoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluorométhyl)phényl]propanamide [French] [ACD/IUPAC Name]
2-{[5-(2-Chlorphenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluormethyl)phenyl]propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]- [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: 1.592
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5439.00
ACD/KOC (pH 5.5): 16423.87
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5439.02
ACD/KOC (pH 7.4): 16423.93
Polar Surface Area: 94 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 365.7±7.0 cm3

Click to predict properties on the Chemicalize site


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