ChemSpider 2D Image | Ethyl 4-{3-[(5,6-dimethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-quinoxalinyl}-1-piperazinecarboxylate | C21H24N8O2S

Ethyl 4-{3-[(5,6-dimethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-quinoxalinyl}-1-piperazinecarboxylate

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID34728875

More details:






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

1-Piperazinecarboxylic acid, 4-[3-[(5,6-dimethylthiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-quinoxalinyl]-, ethyl ester [ACD/Index Name]
4-{3-[(5,6-Diméthyl[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-quinoxalinyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[(5,6-dimethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-quinoxalinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(5,6-dimethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-chinoxalinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 123.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 486.67
ACD/KOC (pH 5.5): 2610.08
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.42
ACD/KOC (pH 7.4): 3842.25
Polar Surface Area: 129 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 299.4±7.0 cm3

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