Found 1 result

Search term: PLKCLYWKGAEBFY-OAHLLOKOSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)-2-piperazinecarboxamide | C20H26F3N5O2S

1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)-2-piperazinecarboxamide

  • Molecular FormulaC20H26F3N5O2S
  • Average mass457.513 Da
  • Monoisotopic mass457.175934 Da
  • ChemSpider ID129268534

More details:

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

1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
1-[4-(4-Acétyl-3-éthyl-5-méthyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluorpropyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 1-[4-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-thiazolyl]-N-(3,3,3-trifluoropropyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 17.96
ACD/KOC (pH 7.4): 243.01
Polar Surface Area: 118 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

Click to predict properties on the Chemicalize site


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