2-{2-[4-(1H-benzimidazol-2-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-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0304 |
| Compound Name: | 2-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCC(CC3)c3nc4ccccc4[nH]3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3796 |
| logD: | 2.3725 |
| logSw: | -2.7233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.976 |
| InChI Key: | BLKFAAZMZPTZMO-UHFFFAOYSA-N |