N-(2-chloro-4-methylphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2-chloro-4-methylphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C433-0156 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 441.87 |
| Molecular Formula: | C21 H20 Cl N5 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(C)cc1[Cl])=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3384 |
| logD: | 2.3382 |
| logSw: | -3.1845 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.948 |
| InChI Key: | DUENWBJHNZMTCD-UHFFFAOYSA-N |