2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C148-0596 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 594.15 |
| Molecular Formula: | C31 H33 Cl F N5 O2 S |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)CN1C(CC(Nc2ccc(cc2)F)=O)C(N(C1=S)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9677 |
| logD: | 3.5976 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.898 |
| InChI Key: | SZYWYLIXTSSIGU-MUUNZHRXSA-N |