ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C148-0493 |
| Compound Name: | ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C28 H34 F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C)C(N1CCCN1CCN(CC1)c1ccc(cc1)F)=S)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0507 |
| logD: | 2.8236 |
| logSw: | -3.3522 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.021 |
| InChI Key: | CJUDQZMSWZKQSK-XMMPIXPASA-N |