methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C089-0477 |
| Compound Name: | methyl 4-(2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 633.21 |
| Molecular Formula: | C34 H37 Cl N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCC(CC1)Cc1ccccc1)=S)c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7559 |
| logD: | 4.2724 |
| logSw: | -5.9922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.26 |
| InChI Key: | PPDMSWCLAWDKFP-SSEXGKCCSA-N |