6-methyl-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methyl-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
6-methyl-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0165 |
| Compound Name: | 6-methyl-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C19 H12 N2 O4 S |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)c2nc(cs2)c2cccc(c2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9624 |
| logD: | 4.9624 |
| logSw: | -4.9158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.004 |
| InChI Key: | MCNNGJINMOQQHI-UHFFFAOYSA-N |