3-(2-methyl-1,3-thiazol-5-yl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-methyl-1,3-thiazol-5-yl)-6-nitro-2H-1-benzopyran-2-one
3-(2-methyl-1,3-thiazol-5-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0833-0087 |
| Compound Name: | 3-(2-methyl-1,3-thiazol-5-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.28 |
| Molecular Formula: | C13 H8 N2 O4 S |
| Smiles: | Cc1ncc(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7617 |
| logD: | 2.7617 |
| logSw: | -3.1765 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.604 |
| InChI Key: | LISNWCXCERRSOL-UHFFFAOYSA-N |