2-{3-[3-(4-benzylpiperazin-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-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0007 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 617.83 |
| Molecular Formula: | C33 H39 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)Cc1ccccc1)=S)c1cccc(c1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7546 |
| logD: | 3.3845 |
| logSw: | -4.1027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.442 |
| InChI Key: | FSEGCFHUYLDRBY-SSEXGKCCSA-N |