6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M455-0344 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)pyridazin-3(2H)-one |
| Molecular Weight: | 472.38 |
| Molecular Formula: | C22 H15 F3 N4 O5 |
| Smiles: | C(CN1C(C=CC(c2ccc3c(c2)OCO3)=N1)=O)c1nc(c2ccc(cc2)OC(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.2075 |
| logD: | 5.2074 |
| logSw: | -5.5303 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.921 |
| InChI Key: | NKBCQDRVGAGKCI-UHFFFAOYSA-N |