2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C089-0234 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 624.18 |
| Molecular Formula: | C32 H35 Cl F N5 O3 S |
| Smiles: | COc1ccc(cc1[Cl])N1C(C(CC(Nc2ccc(cc2)F)=O)N(CCCN2CCN(CC2)Cc2ccccc2)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7483 |
| logD: | 3.3782 |
| logSw: | -4.1264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.529 |
| InChI Key: | UYCKBFFCORJRQZ-MUUNZHRXSA-N |