2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3249 |
| Compound Name: | 2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 378.52 |
| Molecular Formula: | C23 H30 N4 O |
| Smiles: | C1CCC2=CC(N(CN3CCN(CC3)C/C=C/c3ccccc3)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4629 |
| logD: | 3.0181 |
| logSw: | -3.4928 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.509 |
| InChI Key: | XXULVQQDEFURFG-UHFFFAOYSA-N |