2-[(azepan-1-yl)methyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[(azepan-1-yl)methyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
2-[(azepan-1-yl)methyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-5630 |
| Compound Name: | 2-[(azepan-1-yl)methyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one |
| Molecular Weight: | 329.46 |
| Molecular Formula: | C18 H23 N3 O S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CN2CCCCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.961 |
| logD: | 3.7231 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.305 |
| InChI Key: | HXKZMFCFZAWXHV-UHFFFAOYSA-N |