3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0150 |
| Compound Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 354.75 |
| Molecular Formula: | C18 H11 Cl N2 O4 |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.3669 |
| logD: | 4.3669 |
| logSw: | -4.7842 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.881 |
| InChI Key: | HKUUIFPPBGRJAZ-UHFFFAOYSA-N |