ChemSpider 2D Image | 4-Methyl-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{5-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-3-pyridinyl}-1H-1,2,3-triazol-1-yl)benzamide | C28H31F3N8O2

4-Methyl-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{5-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-3-pyridinyl}-1H-1,2,3-triazol-1-yl)benzamide

  • Molecular FormulaC28H31F3N8O2
  • Average mass568.593 Da
  • Monoisotopic mass568.252197 Da
  • ChemSpider ID61724270

More details:

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

4-Methyl-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{5-[4-(2,2,2-trifluorethyl)-1-piperazinyl]-3-pyridinyl}-1H-1,2,3-triazol-1-yl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{5-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-3-pyridinyl}-1H-1,2,3-triazol-1-yl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-[5-(2-méthyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{5-[4-(2,2,2-trifluoroéthyl)-1-pipérazinyl]-3-pyridinyl}-1H-1,2,3-triazol-1-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-4-methyl-3-[4-[5-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-3-pyridinyl]-1H-1,2,3-triazol-1-yl]- [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: 1.632
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 188.86
ACD/KOC (pH 5.5): 1454.87
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 201.40
ACD/KOC (pH 7.4): 1551.47
Polar Surface Area: 105 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

Click to predict properties on the Chemicalize site


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