ethyl 3-(2-{1-[4-(ethoxycarbonyl)phenyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{1-[4-(ethoxycarbonyl)phenyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 3-(2-{1-[4-(ethoxycarbonyl)phenyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0784 |
| Compound Name: | ethyl 3-(2-{1-[4-(ethoxycarbonyl)phenyl]-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 560.63 |
| Molecular Formula: | C29 H28 N4 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2cccc(c2)C(=O)OCC)=O)N(Cc2ccccn2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9589 |
| logD: | 3.9588 |
| logSw: | -4.1603 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.448 |
| InChI Key: | GMFDWDHAGSVXEP-XMMPIXPASA-N |