ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C20H18ClFN4O3S

N-(3-Chloro-4-fluorophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC20H18ClFN4O3S
  • Average mass448.898 Da
  • Monoisotopic mass448.077209 Da
  • ChemSpider ID27422765

More details:

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

Acetamide, N-(3-chloro-4-fluorophenyl)-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-4-méthyl-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(3-chloro-4-fluorophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}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: 1.676
Molar Refractivity: 113.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1193.84
ACD/KOC (pH 5.5): 5547.18
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1193.70
ACD/KOC (pH 7.4): 5546.55
Polar Surface Area: 104 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 301.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement