6-bromo-3-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
6-bromo-3-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1814-2023 |
| Compound Name: | 6-bromo-3-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 418.24 |
| Molecular Formula: | C17 H9 Br F N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1nnc(Nc2ccc(cc2)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9264 |
| logD: | 4.9264 |
| logSw: | -5.0298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.346 |
| InChI Key: | NIQOZLOEKWYMIZ-UHFFFAOYSA-N |