1-(azepan-1-yl)-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]ethan-1-one
1-(azepan-1-yl)-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | E860-2774 |
| Compound Name: | 1-(azepan-1-yl)-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 395.53 |
| Molecular Formula: | C21 H25 N5 O S |
| Smiles: | Cc1c2c(c(nn1)SCC(N1CCCCCC1)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.145 |
| logD: | 3.1449 |
| logSw: | -3.3698 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.468 |
| InChI Key: | YHDHWDDPYILEKY-UHFFFAOYSA-N |