N-(2,6-dimethylphenyl)-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-dimethylphenyl)-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-dimethylphenyl)-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: | C338-0030 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C20 H19 N5 O3 |
| Smiles: | Cc1cccc(C)c1NC(CN1C2C(C(N(C2=O)c2ccccc2)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3088 |
| logD: | 1.3087 |
| logSw: | -2.2072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.126 |
| InChI Key: | XAESPVAJDOYWFR-UHFFFAOYSA-N |