8-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
8-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1123 |
| Compound Name: | 8-methoxy-3-(2-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C21 H14 N4 O4 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1csc(Cc2nc(c3cccnc3)no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4228 |
| logD: | 2.7841 |
| logSw: | -3.5728 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.293 |
| InChI Key: | VRHMTHNWMGRCGY-UHFFFAOYSA-N |