ethyl 4-(2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0231 |
| Compound Name: | ethyl 4-(2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 567.71 |
| Molecular Formula: | C29 H37 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCN1CCN(C)CC1)=S)c1ccc(cc1)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6799 |
| logD: | 1.4356 |
| logSw: | -3.0074 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.712 |
| InChI Key: | ATLGHMHIFSYPPX-RUZDIDTESA-N |