2-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0276 |
| Compound Name: | 2-(2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C22 H27 Cl N4 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCN(CC3)Cc3ccccc3[Cl])=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5315 |
| logD: | 2.5272 |
| logSw: | -2.9768 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.497 |
| InChI Key: | ZAYUIKJMDWSEKL-UHFFFAOYSA-N |