6-bromo-8-methoxy-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-8-methoxy-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
6-bromo-8-methoxy-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0409 |
| Compound Name: | 6-bromo-8-methoxy-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.19 |
| Molecular Formula: | C17 H10 Br N3 O4 |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc12)c1nc(c2cccnc2)no1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2375 |
| logD: | 3.1534 |
| logSw: | -3.3675 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.398 |
| InChI Key: | MBYMLBGWPAMCPE-UHFFFAOYSA-N |