6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide
6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0040 |
| Compound Name: | 6-bromo-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 394.24 |
| Molecular Formula: | C15 H12 Br N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Br])=O)=O)c1nnc(CCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2867 |
| logD: | 3.26 |
| logSw: | -4.3773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.188 |
| InChI Key: | HHYZUQONBJKBMZ-UHFFFAOYSA-N |