2-{2-[4-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-1001 |
| Compound Name: | 2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C23 H30 N4 O2 |
| Smiles: | Cc1ccc(c(C)c1)N1CCN(CC1)C(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5503 |
| logD: | 3.5499 |
| logSw: | -3.6664 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.916 |
| InChI Key: | QRSPJARVOJZNPN-UHFFFAOYSA-N |