2-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-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-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0243 |
| Compound Name: | 2-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C21 H24 F3 N5 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCN(CC3)c3ccc(cn3)C(F)(F)F)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7578 |
| logD: | 2.7578 |
| logSw: | -2.8932 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.818 |
| InChI Key: | MBDLJYSEGNCFPV-UHFFFAOYSA-N |