ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C089-0500 |
| Compound Name: | ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 692.28 |
| Molecular Formula: | C36 H42 Cl N5 O5 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1cccc(c1)[Cl])=S)c1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8073 |
| logD: | 5.5805 |
| logSw: | -5.9196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.79 |
| InChI Key: | ONGLMOZUNGQBJU-YTTGMZPUSA-N |