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Search term: GSMRYQUEJCTMHR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{4-Ethyl-2-methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-1H-pyrrol-3-yl}ethanone | C16H22N4OS

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

  • Molecular FormulaC16H22N4OS
  • Average mass318.437 Da
  • Monoisotopic mass318.151428 Da
  • ChemSpider ID129205135

More details:

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

1-{4-Ethyl-2-methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-1H-pyrrol-3-yl}ethanon [German] [ACD/IUPAC Name]
1-{4-Ethyl-2-methyl-5-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-1H-pyrrol-3-yl}ethanone [ACD/IUPAC Name]
1-{4-Éthyl-2-méthyl-5-[2-(1-pipérazinyl)-1,3-thiazol-4-yl]-1H-pyrrol-3-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-ethyl-2-methyl-5-[2-(1-piperazinyl)-4-thiazolyl]-1H-pyrrol-3-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.1±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 43.40
Polar Surface Area: 89 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site


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