ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0763 |
| Compound Name: | ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OCC)=O)N(Cc2ccccn2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5458 |
| logD: | 3.5458 |
| logSw: | -3.6369 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.817 |
| InChI Key: | BRVBYVKPMUWAJS-XMMPIXPASA-N |