3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
Compound characteristics
| Compound ID: | F840-0163 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine |
| Molecular Weight: | 458.42 |
| Molecular Formula: | C21 H13 F3 N4 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)c1ccc(nn1)SCc1nc(c2cccc(c2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.503 |
| logD: | 5.5028 |
| logSw: | -6.2554 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.258 |
| InChI Key: | MKLFRNLAWJQNMH-UHFFFAOYSA-N |