ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0749 |
| Compound Name: | ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C26 H23 F N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(Cc2ccccn2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2059 |
| logD: | 3.2055 |
| logSw: | -3.3689 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.694 |
| InChI Key: | JETKRXLYASRSOU-JOCHJYFZSA-N |