7-bromo-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
7-bromo-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0060 |
| Compound Name: | 7-bromo-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 398.25 |
| Molecular Formula: | C13 H8 Br N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0967 |
| logD: | 3.9426 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | XKTXLASCXYHGLK-UHFFFAOYSA-N |