5-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0508 |
| Compound Name: | 5-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C2C(C(N(C2=O)c2ccc3CCCc3c2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7608 |
| logD: | 3.7606 |
| logSw: | -3.8318 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.24 |
| InChI Key: | ZVVRNQJSRJTIDX-UHFFFAOYSA-N |