methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[4-(ethoxycarbonyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[4-(ethoxycarbonyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[4-(ethoxycarbonyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0488 |
| Compound Name: | methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-[4-(ethoxycarbonyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 670.83 |
| Molecular Formula: | C37 H42 N4 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)C(=O)OC)=O)N(CCCN2CCC(CC2)Cc2ccccc2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7625 |
| logD: | 4.2791 |
| logSw: | -5.5394 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.014 |
| InChI Key: | KZXRSFMJXDEGOU-JGCGQSQUSA-N |