1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0285 |
| Compound Name: | 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C22 H19 Cl N6 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccccc3[Cl])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6216 |
| logD: | 3.6215 |
| logSw: | -3.9181 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | DKIOTOUWTOCSJL-UHFFFAOYSA-N |