5-(3-chloro-4-methylphenyl)-1-{[3-(3,4-dimethylphenyl)-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-dimethylphenyl)-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-dimethylphenyl)-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: | L108-0176 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-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: | Cc1ccc(cc1C)c1nc(CN2C3C(C(N(C3=O)c3ccc(C)c(c3)[Cl])=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3563 |
| logD: | 4.356 |
| logSw: | -4.5168 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | XUFXXRQDOCVPDC-UHFFFAOYSA-N |