7-hydroxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
7-hydroxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0023 |
| Compound Name: | 7-hydroxy-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 366.35 |
| Molecular Formula: | C18 H10 N2 O5 S |
| Smiles: | C1=C(C(=O)Oc2cc(ccc12)O)c1nc(cs1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2788 |
| logD: | 4.206 |
| logSw: | -4.5694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.621 |
| InChI Key: | NBPTWJJHWLUTAB-UHFFFAOYSA-N |