ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8014-7583 |
| Compound Name: | ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 554.04 |
| Molecular Formula: | C28 H25 Cl F N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(CCc2ccc(cc2)F)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2421 |
| logD: | 5.2417 |
| logSw: | -5.7145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.129 |
| InChI Key: | JJSGRJPLOGKLMG-DEOSSOPVSA-N |