N-butyl-N-methyl-3-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Chemical Structure Depiction of
N-butyl-N-methyl-3-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
N-butyl-N-methyl-3-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Compound characteristics
| Compound ID: | L550-0359 |
| Compound Name: | N-butyl-N-methyl-3-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C21 H22 F3 N7 O |
| Smiles: | CCCCN(C)c1ccc2nnc(CCc3nc(c4cccc(c4)C(F)(F)F)no3)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.628 |
| logD: | 4.628 |
| logSw: | -4.3761 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.384 |
| InChI Key: | LGQSJYJZPIGPGI-UHFFFAOYSA-N |