6-bromo-3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
6-bromo-3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2203-2812 |
| Compound Name: | 6-bromo-3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 469.14 |
| Molecular Formula: | C17 H8 Br Cl2 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1nnc(Nc2ccc(cc2[Cl])[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0986 |
| logD: | 6.0986 |
| logSw: | -6.3518 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.648 |
| InChI Key: | GIHJHCKCHMFDHI-UHFFFAOYSA-N |