2-{2-[4-(4-chlorophenyl)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-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0200 |
| Compound Name: | 2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 400.91 |
| Molecular Formula: | C21 H25 Cl N4 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCN(CC3)c3ccc(cc3)[Cl])=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9288 |
| logD: | 2.9288 |
| logSw: | -3.4311 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.217 |
| InChI Key: | FKLSOBWPFXPYOC-UHFFFAOYSA-N |