7-bromo-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
7-bromo-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0059 |
| Compound Name: | 7-bromo-4-oxo-N-[5-(propan-2-yl)-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(c2ccc(cc2O1)[Br])=O)=O)c1nnc(C(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1162 |
| logD: | 3.1082 |
| logSw: | -4.3443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.693 |
| InChI Key: | RHLOXZCSTSKIDA-UHFFFAOYSA-N |