1-(3-chlorophenyl)-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-chlorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-chlorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0743 |
| Compound Name: | 1-(3-chlorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 354.79 |
| Molecular Formula: | C18 H15 Cl N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)N(c1cccc(c1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.615 |
| logD: | 3.6147 |
| logSw: | -3.6498 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | AQRRLIBRHLUKPE-UHFFFAOYSA-N |