5-(2,6-dimethylphenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(2,6-dimethylphenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(2,6-dimethylphenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | Y501-9654 |
| Compound Name: | 5-(2,6-dimethylphenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C29 H26 N6 O3 |
| Smiles: | Cc1cccc(C)c1N1C(C2C(C1=O)N(CC(N1C(CC(c3ccccc3)=N1)c1ccccc1)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7129 |
| logD: | 3.7128 |
| logSw: | -3.9509 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.391 |
| InChI Key: | ONHOSMOWWQDRKT-UHFFFAOYSA-N |