ethyl 4-{5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0623 |
| Compound Name: | ethyl 4-{5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 657.83 |
| Molecular Formula: | C36 H43 N5 O5 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccccc1)=S)c1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2237 |
| logD: | 4.9969 |
| logSw: | -4.9702 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.79 |
| InChI Key: | AJDHOFHQNNIJHY-JGCGQSQUSA-N |