5-(2,3-dihydro-1H-inden-5-yl)-1-{[3-(2-methylphenyl)-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-(2,3-dihydro-1H-inden-5-yl)-1-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(2,3-dihydro-1H-inden-5-yl)-1-{[3-(2-methylphenyl)-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: | L108-0627 |
| Compound Name: | 5-(2,3-dihydro-1H-inden-5-yl)-1-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C23 H20 N6 O3 |
| Smiles: | Cc1ccccc1c1nc(CN2C3C(C(N(C3=O)c3ccc4CCCc4c3)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9623 |
| logD: | 2.9621 |
| logSw: | -3.2774 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.002 |
| InChI Key: | XFNLXMUMQSKUNG-UHFFFAOYSA-N |