ChemSpider 2D Image | 2-Allyl 4-ethyl 5-{[{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino}(oxo)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C23H20FN3O6S2

2-Allyl 4-ethyl 5-{[{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino}(oxo)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC23H20FN3O6S2
  • Average mass517.550 Da
  • Monoisotopic mass517.077759 Da
  • ChemSpider ID112687424

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-1,2-dioxoethyl]amino]-3-methyl-, 4-ethyl 2-(2-propen-1-yl) ester [ACD/Index Name]
2-Allyl 4-ethyl 5-{[{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino}(oxo)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
2-Allyl-4-ethyl-5-{[{[4-(4-fluorphenyl)-1,3-thiazol-2-yl]amino}(oxo)acetyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
5-[(2-{[4-(4-Fluorophényl)-1,3-thiazol-2-yl]amino}-2-oxoacétyl)amino]-3-méthyl-2,4-thiophènedicarboxylate de 2-allyle et de 4-éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 710.41
ACD/KOC (pH 5.5): 1894.56
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 92.71
ACD/KOC (pH 7.4): 247.23
Polar Surface Area: 180 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 361.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement