1-(azepan-1-yl)-2-{[6-(3-nitrophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[6-(3-nitrophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[6-(3-nitrophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6452 |
| Compound Name: | 1-(azepan-1-yl)-2-{[6-(3-nitrophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C19 H20 N6 O3 S |
| Smiles: | C1CCCN(CC1)C(CSc1nnc2ccc(c3cccc(c3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.17 |
| logD: | 3.17 |
| logSw: | -3.358 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.812 |
| InChI Key: | OECGRHXHWXOSAQ-UHFFFAOYSA-N |