2-{2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0347 |
| Compound Name: | 2-{2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCC(CC3)c3nnc4ccccn34)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1727 |
| logD: | 1.1727 |
| logSw: | -1.8924 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.295 |
| InChI Key: | LAHBLHXIRZCUIJ-UHFFFAOYSA-N |