2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0166 |
| Compound Name: | 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCN(CC3)Cc3ccccc3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8936 |
| logD: | 1.8782 |
| logSw: | -2.1385 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.497 |
| InChI Key: | TXQXPFLJUYDDTK-UHFFFAOYSA-N |