3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8018-0615 |
| Compound Name: | 3-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C21 H13 N3 O3 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nc(c2ccc(cc2)n2cccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.637 |
| logD: | 4.637 |
| logSw: | -5.0122 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.552 |
| InChI Key: | PKUYLQHDGZUNNP-UHFFFAOYSA-N |