3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K234-0005 |
| Compound Name: | 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C18 H10 N2 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1csc(c2ccc(cc2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4594 |
| logD: | 4.4594 |
| logSw: | -4.8471 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.004 |
| InChI Key: | BLSIPTFIYRZFRE-UHFFFAOYSA-N |