ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0613 |
| Compound Name: | ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 643.81 |
| Molecular Formula: | C35 H41 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OCC)=O)N(CCCN2CCN(CC2)c2ccccc2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6333 |
| logD: | 4.4065 |
| logSw: | -4.1178 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.496 |
| InChI Key: | ZRKGOMXPPPCSKK-WJOKGBTCSA-N |