2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N,N-diphenylacetamide
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,N-diphenylacetamide
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N,N-diphenylacetamide
Compound characteristics
| Compound ID: | C338-0180 |
| 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,N-diphenylacetamide |
| Molecular Weight: | 459.89 |
| Molecular Formula: | C24 H18 Cl N5 O3 |
| Smiles: | C(C(N(c1ccccc1)c1ccccc1)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5221 |
| logD: | 2.522 |
| logSw: | -2.8308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.988 |
| InChI Key: | JEDRYOFIUJGPDT-UHFFFAOYSA-N |