ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C089-0287 |
| Compound Name: | ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate |
| Molecular Weight: | 663.83 |
| Molecular Formula: | C34 H38 F N5 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccc(cc1)F)=S)c1cccc(c1)SC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8432 |
| logD: | 4.616 |
| logSw: | -4.5839 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.372 |
| InChI Key: | NVKURPARSUEINQ-SSEXGKCCSA-N |