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 |