5-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0354 |
| Compound Name: | 5-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)N(Cc1ccc(cc1)SC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8012 |
| logD: | 2.801 |
| logSw: | -3.0664 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.373 |
| InChI Key: | UXAADHYZFGRGBX-UHFFFAOYSA-N |