6-fluoro-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-fluoro-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-fluoro-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0472 |
| Compound Name: | 6-fluoro-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 322.29 |
| Molecular Formula: | C18 H11 F N2 O3 |
| Smiles: | Cc1ccccc1c1nc(C2=Cc3cc(ccc3OC2=O)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.8996 |
| logD: | 3.8996 |
| logSw: | -4.1368 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | JCSSTMREAKMSSB-UHFFFAOYSA-N |