5-(4-ethylphenyl)-1-{[3-(4-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-(4-ethylphenyl)-1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethylphenyl)-1-{[3-(4-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: | C200-6854 |
| Compound Name: | 5-(4-ethylphenyl)-1-{[3-(4-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: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccc(C)cc3)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4713 |
| logD: | 3.4712 |
| logSw: | -3.3665 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | HXQROEYSWXQPRW-UHFFFAOYSA-N |