3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-6-chloro-2H-1-benzopyran-2-one
3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0396 |
| Compound Name: | 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 331.67 |
| Molecular Formula: | C13 H6 Cl N5 O4 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nc(c2c(N)non2)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.5116 |
| logD: | 2.5116 |
| logSw: | -3.3777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.651 |
| InChI Key: | PZKSHJLPAMPBAO-UHFFFAOYSA-N |