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Search term: MWUAUINBVTULOI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{2-Methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-4-(3,3,3-trifluoropropyl)-1H-pyrrol-3-yl}ethanone | C17H21F3N4OS

1-{2-Methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-4-(3,3,3-trifluoropropyl)-1H-pyrrol-3-yl}ethanone

  • Molecular FormulaC17H21F3N4OS
  • Average mass386.435 Da
  • Monoisotopic mass386.138824 Da
  • ChemSpider ID129212197

More details:

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

1-{2-Methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-4-(3,3,3-trifluoropropyl)-1H-pyrrol-3-yl}ethanone [ACD/IUPAC Name]
1-{2-Méthyl-5-[2-(1-pipérazinyl)-1,3-thiazol-4-yl]-4-(3,3,3-trifluoropropyl)-1H-pyrrol-3-yl}éthanone [French] [ACD/IUPAC Name]
1-{2-Methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-4-(3,3,3-trifluorpropyl)-1H-pyrrol-3-yl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[2-methyl-5-[2-(1-piperazinyl)-4-thiazolyl]-4-(3,3,3-trifluoropropyl)-1H-pyrrol-3-yl]- [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: 543.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 62.68
Polar Surface Area: 89 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

Click to predict properties on the Chemicalize site


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