2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,4-dimethylphenyl)acetamide
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C433-0020 |
| Compound Name: | 2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 411.85 |
| Molecular Formula: | C20 H18 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1C)NC(CN1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8726 |
| logD: | 2.8724 |
| logSw: | -3.3605 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | VBILJFBHKIAMTA-UHFFFAOYSA-N |