2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C338-0191 |
| Compound Name: | 2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C19 H16 Cl N5 O3 S |
| Smiles: | CSc1cccc(c1)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3013 |
| logD: | 2.3012 |
| logSw: | -3.4255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | UALHWNPGGNHCJV-UHFFFAOYSA-N |