ethyl 4-(2-{1-(4-methylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(4-methylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(4-methylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0463 |
| Compound Name: | ethyl 4-(2-{1-(4-methylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 551.71 |
| Molecular Formula: | C29 H37 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(C)CC1)=S)c1ccc(C)cc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8705 |
| logD: | 2.0558 |
| logSw: | -3.3088 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.588 |
| InChI Key: | MHBOKXPVWZSJJE-RUZDIDTESA-N |