3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate
3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | K277-0024 |
| Compound Name: | 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C20 H12 N2 O6 S |
| Smiles: | CC(=O)Oc1ccc2C=C(C(=O)Oc2c1)c1nc(cs1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.226 |
| logD: | 4.226 |
| logSw: | -4.5616 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.755 |
| InChI Key: | WKRWRLSFVLKZOQ-UHFFFAOYSA-N |