2-{2-[4-(4-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-0391 |
| Compound Name: | 2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3165 |
| logD: | 2.316 |
| logSw: | -2.5427 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.761 |
| InChI Key: | SFCPGVATVHCROB-UHFFFAOYSA-N |