6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0039 |
| Compound Name: | 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 380.22 |
| Molecular Formula: | C14 H10 Br N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Br])=O)=O)c1nnc(CC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7467 |
| logD: | 2.72 |
| logSw: | -3.9732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.188 |
| InChI Key: | QOLGAUMKGKMHJW-UHFFFAOYSA-N |