1-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0019 |
| Compound Name: | 1-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C20 H16 N6 O3 |
| Smiles: | Cc1cccc(c1)c1nc(CN2C3C(C(N(C3=O)c3ccccc3)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.365 |
| logD: | 2.3649 |
| logSw: | -2.8045 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | ZEPNXIUTZSOGPU-UHFFFAOYSA-N |