8-methoxy-3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
8-methoxy-3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8015-8846 |
| Compound Name: | 8-methoxy-3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 385.38 |
| Molecular Formula: | C22 H15 N3 O4 |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nc(c2ccc(cc2)n2cccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5858 |
| logD: | 4.5858 |
| logSw: | -4.676 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.866 |
| InChI Key: | ADZMSRBHVNHLDW-UHFFFAOYSA-N |