ChemSpider 2D Image | 2-({5-[(2,5-Difluorophenoxy)methyl]-4-[(E)-(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide | C24H20F2N6O2S

2-({5-[(2,5-Difluorophenoxy)methyl]-4-[(E)-(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide

  • Molecular FormulaC24H20F2N6O2S
  • Average mass494.516 Da
  • Monoisotopic mass494.133636 Da
  • ChemSpider ID126380031

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({5-[(2,5-Difluorophenoxy)methyl]-4-[(E)-(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-({5-[(2,5-Difluorophénoxy)méthyl]-4-[(E)-(3-pyridinylméthylène)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
2-({5-[(2,5-Difluorphenoxy)methyl]-4-[(E)-(3-pyridinylmethylen)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(2,5-difluorophenoxy)methyl]-4-[[(1E)-3-pyridinylmethylene]amino]-4H-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)- [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: 1.649
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.75
ACD/KOC (pH 5.5): 3473.11
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 621.02
ACD/KOC (pH 7.4): 3474.61
Polar Surface Area: 120 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 362.0±7.0 cm3

Click to predict properties on the Chemicalize site


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