5-(2,3-dihydro-1H-inden-5-yl)-1-{[3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | L108-0625 |
| Compound Name: | 5-(2,3-dihydro-1H-inden-5-yl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C23 H20 N6 O4 |
| Smiles: | COc1ccc(cc1)c1nc(CN2C3C(C(N(C3=O)c3ccc4CCCc4c3)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9268 |
| logD: | 2.9266 |
| logSw: | -3.3187 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.546 |
| InChI Key: | QBLOEYHQAHFZGV-UHFFFAOYSA-N |