2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3250 |
| Compound Name: | 2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 386.92 |
| Molecular Formula: | C21 H27 Cl N4 O |
| Smiles: | C1CCC2=CC(N(CN3CCN(CC3)Cc3cccc(c3)[Cl])N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3205 |
| logD: | 3.028 |
| logSw: | -3.5735 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.531 |
| InChI Key: | IZKMJTPWBKTJMX-UHFFFAOYSA-N |