Found 312 results

Search term: MF = 'C_{21}H_{17}F_{3}N_{4}O_{2}S'
ChemSpider 2D Image | 2-{[5-(1-Benzofuran-2-yl)-4-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide | C21H17F3N4O2S

2-{[5-(1-Benzofuran-2-yl)-4-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide

  • Molecular FormulaC21H17F3N4O2S
  • Average mass446.445 Da
  • Monoisotopic mass446.102417 Da
  • ChemSpider ID25966159

More details:

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

2-{[5-(1-Benzofuran-2-yl)-4-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide [ACD/IUPAC Name]
2-{[5-(1-Benzofuran-2-yl)-4-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophényl)acétamide [French] [ACD/IUPAC Name]
2-{[5-(1-Benzofuran-2-yl)-4-isopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[5-(2-benzofuranyl)-4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,3,4-trifluorophenyl)- [ACD/Index Name]
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3,4-trifluorophenyl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3064.53
ACD/KOC (pH 5.5): 10892.46
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3056.43
ACD/KOC (pH 7.4): 10863.69
Polar Surface Area: 98 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

Click to predict properties on the Chemicalize site


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