6-chloro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
6-chloro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1711-1496 |
| Compound Name: | 6-chloro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 369.72 |
| Molecular Formula: | C17 H8 Cl N3 O5 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nnc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5708 |
| logD: | 3.5708 |
| logSw: | -4.1855 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.786 |
| InChI Key: | KWSCADZOBYEEQA-UHFFFAOYSA-N |