2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C148-0228 |
| Compound Name: | 2-{1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 513.63 |
| Molecular Formula: | C26 H32 F N5 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(CCN2CCN(C)CC2)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1076 |
| logD: | 0.8633 |
| logSw: | -2.8872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.958 |
| InChI Key: | SGNCCBUXLISCRV-HSZRJFAPSA-N |