ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C22H20ClFN4O3S

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

  • Molecular FormulaC22H20ClFN4O3S
  • Average mass474.936 Da
  • Monoisotopic mass474.092865 Da
  • ChemSpider ID27422675

More details:

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

Acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(3-Chloro-4-fluoro-phenyl)-2-[4-cyclopropyl-5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1517.53
ACD/KOC (pH 5.5): 6586.46
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1517.35
ACD/KOC (pH 7.4): 6585.65
Polar Surface Area: 104 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 305.8±7.0 cm3

Click to predict properties on the Chemicalize site


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