N-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetamide
Chemical Structure Depiction of
N-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetamide
N-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | 1711-1189 |
| Compound Name: | N-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetamide |
| Molecular Weight: | 331.3 |
| Molecular Formula: | C14 H9 N3 O5 S |
| Smiles: | CC(Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5265 |
| logD: | 2.5231 |
| logSw: | -3.0703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.578 |
| InChI Key: | GWPHKKSRDAQMDR-UHFFFAOYSA-N |