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-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0361 |
| 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-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 441.87 |
| Molecular Formula: | C21 H20 Cl N5 O4 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)[Cl])OC)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3139 |
| logD: | 2.3137 |
| logSw: | -3.2221 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.152 |
| InChI Key: | FSIGDGOUATVDTA-UHFFFAOYSA-N |