ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridine-3-carbonyl)amino]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridine-3-carbonyl)amino]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridine-3-carbonyl)amino]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8013-3993 |
| Compound Name: | ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridine-3-carbonyl)amino]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 535.55 |
| Molecular Formula: | C26 H22 F N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(C1=S)NC(c1cccnc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.294 |
| logD: | -1.2389 |
| logSw: | -2.3806 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.07 |
| InChI Key: | XZQXQJUSLXUQKD-OAQYLSRUSA-N |