ethyl 4-(2-{1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0671 |
| Compound Name: | ethyl 4-(2-{1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C28 H33 Cl N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCN1CCC(C)CC1)=S)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5347 |
| logD: | 1.9743 |
| logSw: | -4.4908 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.112 |
| InChI Key: | OJKDCIHYNWLUPG-XMMPIXPASA-N |