6-bromo-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
6-bromo-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2041-2467 |
| Compound Name: | 6-bromo-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.2 |
| Molecular Formula: | C18 H11 Br N2 O4 |
| Smiles: | COc1cccc(c1)c1nnc(C2=Cc3cc(ccc3OC2=O)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7545 |
| logD: | 3.7545 |
| logSw: | -4.2282 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.948 |
| InChI Key: | VCGURDXWFPBVGI-UHFFFAOYSA-N |