ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0756 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 560.63 |
| Molecular Formula: | C29 H28 N4 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1Cc1ccccn1)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7783 |
| logD: | 3.7779 |
| logSw: | -4.059 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.448 |
| InChI Key: | LKLMRRDBTVPWSG-XMMPIXPASA-N |