3-(4-butoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(4-butoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(4-butoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | K243-0315 |
| Compound Name: | 3-(4-butoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C21 H19 F3 N4 O S |
| Smiles: | CCCCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2046 |
| logD: | 6.2026 |
| logSw: | -5.6676 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.376 |
| InChI Key: | BGBLHPJBUMJXGM-UHFFFAOYSA-N |