2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C148-0501 |
| Compound Name: | 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 527.66 |
| Molecular Formula: | C27 H34 F N5 O3 S |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)F)=O)C(N(C2=S)c2cccc(c2)OC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3834 |
| logD: | 1.4352 |
| logSw: | -2.9681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.438 |
| InChI Key: | XYYIHWXWRBXZFH-XMMPIXPASA-N |