2-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-1145 |
| Compound Name: | 2-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C24 H30 N4 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCN(CC3)C/C=C/c3ccccc3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6914 |
| logD: | 2.6897 |
| logSw: | -2.828 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.475 |
| InChI Key: | YHJVFSLCUFMVDB-UHFFFAOYSA-N |