3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2699-0198 |
| Compound Name: | 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C19 H12 N2 O5 S |
| Smiles: | COc1ccc(cc1)c1csc(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7322 |
| logD: | 4.7322 |
| logSw: | -4.7951 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.548 |
| InChI Key: | OPHKRCRRUANTHW-UHFFFAOYSA-N |