N-(2,6-dichlorophenyl)-2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
Chemical Structure Depiction of
N-(2,6-dichlorophenyl)-2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
N-(2,6-dichlorophenyl)-2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
Compound characteristics
| Compound ID: | C338-0017 |
| Compound Name: | N-(2,6-dichlorophenyl)-2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide |
| Molecular Weight: | 418.24 |
| Molecular Formula: | C18 H13 Cl2 N5 O3 |
| Smiles: | C(C(Nc1c(cccc1[Cl])[Cl])=O)N1C2C(C(N(C2=O)c2ccccc2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2527 |
| logD: | 2.2419 |
| logSw: | -3.0105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.126 |
| InChI Key: | LIRIGRJSHBWVEM-UHFFFAOYSA-N |