N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-6635 |
| Compound Name: | N-[3-(5-bromothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 434.29 |
| Molecular Formula: | C16 H8 Br N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2ccccc2O1)=O)=O)c1nc(c2ccc(s2)[Br])ns1 |
| Stereo: | ACHIRAL |
| logP: | 4.711 |
| logD: | 4.693 |
| logSw: | -4.8747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.754 |
| InChI Key: | DNEDNFSYJURWEM-UHFFFAOYSA-N |