6-nitro-3-(4-phenyl-1,3-thiazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-(4-phenyl-1,3-thiazol-2-yl)-2H-1-benzopyran-2-one
6-nitro-3-(4-phenyl-1,3-thiazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0003 |
| Compound Name: | 6-nitro-3-(4-phenyl-1,3-thiazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C18 H10 N2 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nc(cs1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6447 |
| logD: | 4.6447 |
| logSw: | -4.9231 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.004 |
| InChI Key: | ZFEKMKNVEWAFBR-UHFFFAOYSA-N |