N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0513 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C2C(C1=O)N(CC(Nc1cccc(c1C)[Cl])=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1855 |
| logD: | 3.1853 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.824 |
| InChI Key: | GLNKRFBMJHWQJX-UHFFFAOYSA-N |