2-[(4-benzylpiperazin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-[(4-benzylpiperazin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-[(4-benzylpiperazin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-5662 |
| Compound Name: | 2-[(4-benzylpiperazin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | C1CCC2=CC(N(CN3CCN(CC3)Cc3ccccc3)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6651 |
| logD: | 2.153 |
| logSw: | -2.7538 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.531 |
| InChI Key: | SHRXTGHZKRSSFK-UHFFFAOYSA-N |