2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C089-0252 |
| Compound Name: | 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 543.73 |
| Molecular Formula: | C27 H34 F N5 O2 S2 |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)F)=O)C(N(C2=S)c2cccc(c2)SC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6477 |
| logD: | 1.6995 |
| logSw: | -3.0892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.895 |
| InChI Key: | ULWDMVGKLZSMBB-XMMPIXPASA-N |