ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0091 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 594.73 |
| Molecular Formula: | C31 H38 N4 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCN1CCC(C)CC1)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4966 |
| logD: | 1.9362 |
| logSw: | -4.0147 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.865 |
| InChI Key: | PIPIHVBUMRLFJY-AREMUKBSSA-N |