2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-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-(4-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-(4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | C338-0634 |
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-(4-methoxyphenyl)acetamide |
Molecular Weight: | 439.43 |
Molecular Formula: | C21 H21 N5 O6 |
Smiles: | COc1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)OC)OC)=O)N=N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 0.8857 |
logD: | 0.8856 |
logSw: | -2.3393 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 103.326 |
InChI Key: | DPSISPCLGVGVBZ-UHFFFAOYSA-N |