methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0475 |
| Compound Name: | methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 628.79 |
| Molecular Formula: | C35 H40 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCC(CC1)Cc1ccccc1)=S)c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1435 |
| logD: | 3.66 |
| logSw: | -5.0755 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.804 |
| InChI Key: | DHRKLWDUGKPMEC-WJOKGBTCSA-N |