6-methoxy-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
6-methoxy-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K234-0057 |
| Compound Name: | 6-methoxy-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C19 H12 N2 O5 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2csc(c3ccc(cc3)[N+]([O-])=O)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.464 |
| logD: | 4.464 |
| logSw: | -4.5989 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.548 |
| InChI Key: | JKFPNPVMRWXUII-UHFFFAOYSA-N |