2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C148-0578 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 629.82 |
| Molecular Formula: | C35 H43 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1ccc(cc1)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0819 |
| logD: | 3.7118 |
| logSw: | -3.9112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.146 |
| InChI Key: | NWEQTDHXYUAZCH-JGCGQSQUSA-N |