ethyl 4-[2-(1-ethyl-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(1-ethyl-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
ethyl 4-[2-(1-ethyl-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C148-0484 |
| Compound Name: | ethyl 4-[2-(1-ethyl-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate |
| Molecular Weight: | 569.7 |
| Molecular Formula: | C29 H36 F N5 O4 S |
| Smiles: | CCN1C(C(CC(Nc2ccc(cc2)C(=O)OCC)=O)N(CCCN2CCN(CC2)c2ccc(cc2)F)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5885 |
| logD: | 3.3614 |
| logSw: | -3.7842 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.98 |
| InChI Key: | OZSVNIMNFUAJMF-RUZDIDTESA-N |