2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methoxyphenyl)acetamide
2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0633 |
| Compound Name: | 2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C21 H21 N5 O6 |
| Smiles: | COc1cccc(c1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)OC)OC)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9697 |
| logD: | 0.9697 |
| logSw: | -2.3486 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.326 |
| InChI Key: | IYJXILDGYGPSBC-UHFFFAOYSA-N |