ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8011-0514 |
| Compound Name: | ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-[2-(pyridin-2-yl)ethyl]-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)OC)=O)N(CCc2ccccn2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5863 |
| logD: | 3.5826 |
| logSw: | -3.7496 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.216 |
| InChI Key: | HCOGSVWQZXFMAJ-XMMPIXPASA-N |