2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3169 |
| Compound Name: | 2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | COc1ccccc1N1CCN(CC1)CN1C(C=C2CCCCCC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9848 |
| logD: | 2.889 |
| logSw: | -3.3227 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.58 |
| InChI Key: | PSJASXZLKISQMG-UHFFFAOYSA-N |