ChemSpider 2D Image | N-{[5-({2-[(2,6-Difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide | C20H19F2N5O3S

N-{[5-({2-[(2,6-Difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

  • Molecular FormulaC20H19F2N5O3S
  • Average mass447.458 Da
  • Monoisotopic mass447.117676 Da
  • ChemSpider ID21117083

More details:

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

Benzamide, N-[[5-[[2-[(2,6-difluorophenyl)amino]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-3-methoxy- [ACD/Index Name]
N-{[5-({2-[(2,6-Difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide [ACD/IUPAC Name]
N-{[5-({2-[(2,6-Difluorophényl)amino]-2-oxoéthyl}sulfanyl)-4-méthyl-4H-1,2,4-triazol-3-yl]méthyl}-3-méthoxybenzamide [French] [ACD/IUPAC Name]
N-{[5-({2-[(2,6-Difluorphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamid [German] [ACD/IUPAC Name]
N-[(5-{[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
N-{[5-({[(2,6-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
N-{[5-({[(2,6-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

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: 1.633
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.12
ACD/KOC (pH 5.5): 435.40
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.10
ACD/KOC (pH 7.4): 435.24
Polar Surface Area: 123 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 318.0±7.0 cm3

Click to predict properties on the Chemicalize site


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