N-(3,4-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-(3,4-dimethylphenyl)-2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
N-(3,4-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: | C338-0032 |
| Compound Name: | N-(3,4-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: | Cc1ccc(cc1C)NC(CN1C2C(C(N(C2=O)c2ccccc2)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1115 |
| logD: | 2.1114 |
| logSw: | -2.9122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | IFCLFTMHEVBEQK-UHFFFAOYSA-N |