3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2041-2460 |
| Compound Name: | 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.2 |
| Molecular Formula: | C18 H11 Br N2 O4 |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nnc(c2cccc(c2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7508 |
| logD: | 3.7508 |
| logSw: | -4.222 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.719 |
| InChI Key: | BYGZUKNPJZVXCG-UHFFFAOYSA-N |