Found 1 result

Search term: MGZJHFUJKNWRTF-GOSISDBHSA-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-[2-(1,2-oxazol-5-yl)ethyl]-2-piperazinecarboxamide | C22H28N6O3S

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

  • Molecular FormulaC22H28N6O3S
  • Average mass456.561 Da
  • Monoisotopic mass456.194366 Da
  • ChemSpider ID129201418

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-[2-(1,2-oxazol-5-yl)ethyl]-2-piperazincarboxamid [German] [ACD/IUPAC Name]
1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]-2-piperazinecarboxamide [ACD/IUPAC Name]
1-[4-(4-Acétyl-3-éthyl-5-méthyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)éthyl]-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 1-[4-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-thiazolyl]-N-[2-(5-isoxazolyl)ethyl]- [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: 1.597
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.45
ACD/KOC (pH 7.4): 128.91
Polar Surface Area: 144 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 358.0±3.0 cm3

Click to predict properties on the Chemicalize site


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