6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M455-0342 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C22 H15 F3 N4 O4 |
| Smiles: | C(CN1C(C=CC(c2ccc3c(c2)OCO3)=N1)=O)c1nc(c2cccc(c2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.8179 |
| logD: | 4.8179 |
| logSw: | -5.0208 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.984 |
| InChI Key: | BVABZBHILCMLNH-UHFFFAOYSA-N |