N-(3,4-dichlorophenyl)-2-[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3,4-dichlorophenyl)-2-[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | Y508-4344 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 432.26 |
| Molecular Formula: | C19 H15 Cl2 N5 O3 |
| Smiles: | Cc1ccccc1N1C(C2C(C1=O)N(CC(Nc1ccc(c(c1)[Cl])[Cl])=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.148 |
| logD: | 3.1394 |
| logSw: | -3.3484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.221 |
| InChI Key: | OWXPNMZNYWAEHK-UHFFFAOYSA-N |