5-(2-chlorophenyl)-1-[(2-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(2-chlorophenyl)-1-[(2-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(2-chlorophenyl)-1-[(2-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0711 |
| Compound Name: | 5-(2-chlorophenyl)-1-[(2-methylphenyl)methyl]-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: | Cc1ccccc1CN1C2C(C(N(C2=O)c2ccccc2[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9033 |
| logD: | 2.903 |
| logSw: | -3.3066 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.072 |
| InChI Key: | KXUQGPUUMUTIGK-UHFFFAOYSA-N |