2-{[4-(trifluoromethoxy)phenyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{[4-(trifluoromethoxy)phenyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{[4-(trifluoromethoxy)phenyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3803 |
| Compound Name: | 2-{[4-(trifluoromethoxy)phenyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 338.33 |
| Molecular Formula: | C17 H17 F3 N2 O2 |
| Smiles: | C1CCC2=CC(N(Cc3ccc(cc3)OC(F)(F)F)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2407 |
| logD: | 4.2407 |
| logSw: | -4.3318 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.501 |
| InChI Key: | AIMLCNUZLKACOI-UHFFFAOYSA-N |