2-{2-[4-(1-methyl-1H-benzimidazol-2-yl)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-(1-methyl-1H-benzimidazol-2-yl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(1-methyl-1H-benzimidazol-2-yl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0267 |
| Compound Name: | 2-{2-[4-(1-methyl-1H-benzimidazol-2-yl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C23 H28 N6 O2 |
| Smiles: | Cn1c2ccccc2nc1N1CCN(CC1)C(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3424 |
| logD: | 2.0693 |
| logSw: | -2.5056 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.768 |
| InChI Key: | WKKVUJBRKSQWDI-UHFFFAOYSA-N |