ChemSpider 2D Image | N-{[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl}-2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}-N-methylacetamide | C17H17F2N5O3S

N-{[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl}-2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}-N-methylacetamide

  • Molecular FormulaC17H17F2N5O3S
  • Average mass409.410 Da
  • Monoisotopic mass409.102020 Da
  • ChemSpider ID30426366

More details:






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

Acetamide, N-[[1-(difluoromethyl)-1H-imidazol-2-yl]methyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thio]-N-methyl- [ACD/Index Name]
N-{[1-(Difluormethyl)-1H-imidazol-2-yl]methyl}-2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}-N-methylacetamid [German] [ACD/IUPAC Name]
N-{[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl}-2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}-N-methylacetamide [ACD/IUPAC Name]
N-{[1-(Difluorométhyl)-1H-imidazol-2-yl]méthyl}-2-{[3-(3-méthoxyphényl)-1,2,4-oxadiazol-5-yl]sulfanyl}-N-méthylacétamide [French] [ACD/IUPAC Name]
https://mcule.com/MCULE-7037511646

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 595.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.8±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.88
ACD/KOC (pH 5.5): 460.11
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.95
ACD/KOC (pH 7.4): 461.05
Polar Surface Area: 112 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 285.2±7.0 cm3

Click to predict properties on the Chemicalize site






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