1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0537 |
| Compound Name: | 1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 468.85 |
| Molecular Formula: | C21 H17 Cl N6 O5 |
| Smiles: | COc1ccc(cc1OC)N1C(C2C(C1=O)N(Cc1nc(c3cccc(c3)[Cl])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4359 |
| logD: | 2.4358 |
| logSw: | -3.2276 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.976 |
| InChI Key: | KSPUHRDBKBCIPK-UHFFFAOYSA-N |