3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2041-2456 |
| Compound Name: | 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 403.62 |
| Molecular Formula: | C17 H8 Br Cl N2 O3 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nnc(c2cccc(c2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4138 |
| logD: | 4.4138 |
| logSw: | -4.7341 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.404 |
| InChI Key: | VHJFYGSBPWRXEL-UHFFFAOYSA-N |