2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-0987 |
| Compound Name: | 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C22 H26 Cl N3 O3 |
| Smiles: | C1CCC2=CC(N(CC(N3CCC(CC3)(c3ccc(cc3)[Cl])O)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3617 |
| logD: | 2.3617 |
| logSw: | -2.9875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.79 |
| InChI Key: | UPJWLSQLOUBARH-UHFFFAOYSA-N |