1-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0337 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)-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: | Cc1ccc(cc1)N1C(C2C(C1=O)N(Cc1cccc(c1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7373 |
| logD: | 2.7371 |
| logSw: | -3.2649 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | BGRJEFLTMICTST-UHFFFAOYSA-N |