6-bromo-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-bromo-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-bromo-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-6696 |
| Compound Name: | 6-bromo-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 448.31 |
| Molecular Formula: | C17 H10 Br N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Br])=O)=O)c1nc(c2ccc(C)s2)ns1 |
| Stereo: | ACHIRAL |
| logP: | 5.4186 |
| logD: | 5.4007 |
| logSw: | -5.5093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.754 |
| InChI Key: | FRJGLUBZUFZDNR-UHFFFAOYSA-N |