2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | C089-0142 |
| Compound Name: | 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 622.25 |
| Molecular Formula: | C32 H36 Cl N5 O2 S2 |
| Smiles: | CSc1cccc(c1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(CCCN2CCN(CC2)Cc2ccccc2)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3669 |
| logD: | 3.9968 |
| logSw: | -4.4734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.898 |
| InChI Key: | AIQSOBWIXQIKFL-LJAQVGFWSA-N |