3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | E594-0105 |
Compound Name: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-2H-1-benzopyran-2-one |
Molecular Weight: | 354.75 |
Molecular Formula: | C18 H11 Cl N2 O4 |
Smiles: | COc1ccc2C=C(C(=O)Oc2c1)c1nc(c2ccc(cc2)[Cl])no1 |
Stereo: | ACHIRAL |
logP: | 4.522 |
logD: | 4.522 |
logSw: | -4.9384 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.11 |
InChI Key: | LLJXCBDIKUFGHR-UHFFFAOYSA-N |