5-(3-chloro-4-methylphenyl)-1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chloro-4-methylphenyl)-1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0169 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 482.88 |
| Molecular Formula: | C22 H19 Cl N6 O5 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C2C(C1=O)N(Cc1nc(c3ccc(c(c3)OC)OC)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9946 |
| logD: | 2.9943 |
| logSw: | -3.3853 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.976 |
| InChI Key: | WLMGHENAXIUZBN-UHFFFAOYSA-N |