2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | C148-0532 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 610.61 |
| Molecular Formula: | C31 H33 Cl2 N5 O2 S |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)CN1C(CC(Nc2ccc(cc2)[Cl])=O)C(N(C1=S)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5782 |
| logD: | 4.2081 |
| logSw: | -4.7348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.898 |
| InChI Key: | OFHKWQNSBJRKHM-MUUNZHRXSA-N |