3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1113 |
| Compound Name: | 3-(2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C24 H19 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)c1nc(Cc2nc(cs2)C2=Cc3cccc(c3OC2=O)OC)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5259 |
| logD: | 4.5259 |
| logSw: | -4.6333 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.036 |
| InChI Key: | KLMWPKPZYAEIRA-UHFFFAOYSA-N |