3-(1,3-benzothiazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K259-0005 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 324.31 |
| Molecular Formula: | C16 H8 N2 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8599 |
| logD: | 3.8599 |
| logSw: | -4.2384 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.991 |
| InChI Key: | CBIRHQBQOSDSFG-UHFFFAOYSA-N |