2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0102 |
| Compound Name: | 2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide |
| Molecular Weight: | 644.9 |
| Molecular Formula: | C36 H44 N4 O3 S2 |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCC(CC1)Cc1ccccc1)=S)c1cccc(c1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.458 |
| logD: | 4.9745 |
| logSw: | -5.5993 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.504 |
| InChI Key: | DWRDAGLPAITCET-MGBGTMOVSA-N |