2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)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-methoxyphenyl)acetamide
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0027 |
| Compound Name: | 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 555.76 |
| Molecular Formula: | C28 H37 N5 O3 S2 |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)OC)=O)C(N(C2=S)c2cccc(c2)SC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.601 |
| logD: | 1.6528 |
| logSw: | -3.1189 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.438 |
| InChI Key: | VAXSCXQAOFCDHM-RUZDIDTESA-N |