ethyl 4-{4-[2-(4-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0085 |
| Compound Name: | ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 552.69 |
| Molecular Formula: | C29 H36 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(CCN2CCC(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8776 |
| logD: | 1.3172 |
| logSw: | -3.99 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.655 |
| InChI Key: | FJAWSIBNLDKSRU-RUZDIDTESA-N |