1-[3-(methylsulfanyl)phenyl]-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}pyridazin-4(1H)-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)phenyl]-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}pyridazin-4(1H)-one
1-[3-(methylsulfanyl)phenyl]-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}pyridazin-4(1H)-one
Compound characteristics
| Compound ID: | M115-0808 |
| Compound Name: | 1-[3-(methylsulfanyl)phenyl]-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}pyridazin-4(1H)-one |
| Molecular Weight: | 446.41 |
| Molecular Formula: | C20 H13 F3 N4 O3 S |
| Smiles: | CSc1cccc(c1)N1C=CC(C(c2nc(c3ccc(cc3)OC(F)(F)F)no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3945 |
| logD: | 5.3945 |
| logSw: | -5.508 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.991 |
| InChI Key: | OVFIWXCWAQKUQQ-UHFFFAOYSA-N |