6-bromo-N-[5-methyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[5-methyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-[5-methyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K219-1408 |
| Compound Name: | 6-bromo-N-[5-methyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 447.33 |
| Molecular Formula: | C18 H11 Br N2 O3 S2 |
| Smiles: | Cc1c(c2cccs2)nc(NC(C2=Cc3cc(ccc3OC2=O)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0777 |
| logD: | 4.8856 |
| logSw: | -5.011 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.815 |
| InChI Key: | YQEBXXAJDOPNIJ-UHFFFAOYSA-N |