ethyl 4-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0570 |
| Compound Name: | ethyl 4-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 647.77 |
| Molecular Formula: | C34 H38 F N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(CCCN2CCN(CC2)c2ccc(cc2)F)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3973 |
| logD: | 4.1705 |
| logSw: | -4.0198 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.916 |
| InChI Key: | PWCIVKAGMFXIJP-SSEXGKCCSA-N |