ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8013-5194 |
| Compound Name: | ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 549.62 |
| Molecular Formula: | C29 H28 F N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OCC)=O)N(Cc2ccc(cc2)F)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5475 |
| logD: | 4.5474 |
| logSw: | -4.1952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.274 |
| InChI Key: | VFQMWZWWYORHEA-RUZDIDTESA-N |