1-(3-chloro-4-methylphenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-chloro-4-methylphenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0738 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 368.82 |
| Molecular Formula: | C19 H17 Cl N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)N(c1ccc(C)c(c1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2304 |
| logD: | 4.23 |
| logSw: | -4.455 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | YNEGTWITNLBRJH-UHFFFAOYSA-N |