2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0233 |
| Compound Name: | 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C23 H28 N4 O4 |
| Smiles: | C1CCC2=CC(N(CC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7648 |
| logD: | 1.5732 |
| logSw: | -2.2866 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.612 |
| InChI Key: | PULRNJUWLJAFIH-UHFFFAOYSA-N |