2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,4,6-trimethylphenyl)acetamide
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0398 |
| Compound Name: | 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C22 H22 Cl N5 O4 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)[Cl])OC)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1342 |
| logD: | 2.134 |
| logSw: | -3.0748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.757 |
| InChI Key: | AHAJEFFIYAKPCJ-UHFFFAOYSA-N |