2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M043-0848 |
| Compound Name: | 2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C23 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(c1ccc(nn1)SCC(N1CCN(CC1)c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3873 |
| logD: | 3.3873 |
| logSw: | -3.6339 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.999 |
| InChI Key: | MLJDMAWLGCUMIQ-UHFFFAOYSA-N |