N-(2,1,3-benzothiadiazol-5-yl)-6-bromo-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(2,1,3-benzothiadiazol-5-yl)-6-bromo-4-oxo-4H-1-benzopyran-2-carboxamide
N-(2,1,3-benzothiadiazol-5-yl)-6-bromo-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D468-2059 |
| Compound Name: | N-(2,1,3-benzothiadiazol-5-yl)-6-bromo-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 402.22 |
| Molecular Formula: | C16 H8 Br N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Br])=O)=O)c1ccc2c(c1)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 4.3316 |
| logD: | 4.275 |
| logSw: | -4.5166 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.33 |
| InChI Key: | TVTYIGMHBAKLRZ-UHFFFAOYSA-N |