2-{2-[4-(methanesulfonyl)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-(methanesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{2-[4-(methanesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0258 |
| Compound Name: | 2-{2-[4-(methanesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C16 H24 N4 O4 S |
| Smiles: | CS(N1CCN(CC1)C(CN1C(C=C2CCCCCC2=N1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0449 |
| logD: | -0.0449 |
| logSw: | -1.3692 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.239 |
| InChI Key: | HMGIAEWVGBFMBI-UHFFFAOYSA-N |