1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0068 |
| Compound Name: | 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 436.86 |
| Molecular Formula: | C21 H17 Cl N6 O3 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccccc3[Cl])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2141 |
| logD: | 3.214 |
| logSw: | -3.6937 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | YKFMMEAKBXRHDX-UHFFFAOYSA-N |