6-bromo-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
6-bromo-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2432-4298 |
| Compound Name: | 6-bromo-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 468.25 |
| Molecular Formula: | C18 H9 Br F3 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1nnc(Nc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9406 |
| logD: | 5.9406 |
| logSw: | -6.2431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.346 |
| InChI Key: | ADZOFNIYWHSXEC-UHFFFAOYSA-N |