2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0251 |
| Compound Name: | 2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Smiles: | C1CCC2=CC(N(CC(N3CCC(CC3)c3c4ccc(cc4on3)F)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4459 |
| logD: | 3.4459 |
| logSw: | -3.6404 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.884 |
| InChI Key: | OGZHPNDOKZPMKW-UHFFFAOYSA-N |