5-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0658 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | Cc1cccc(CN2C3C(C(N(C3=O)c3ccc(C)c(C)c3)=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4376 |
| logD: | 3.4374 |
| logSw: | -3.4283 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | QLAPDWXFBRFZGT-UHFFFAOYSA-N |