5-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0533 |
| Compound Name: | 5-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-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: | Cc1ccc(C)c(CN2C3C(C(N(C3=O)c3cccc(c3)[Cl])=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4817 |
| logD: | 3.4813 |
| logSw: | -3.4726 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | WERUHNNFMVNNLR-UHFFFAOYSA-N |