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-ethylphenyl)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-ethylphenyl)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-ethylphenyl)acetamide
Compound characteristics
Compound ID: | C338-0651 |
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-ethylphenyl)acetamide |
Molecular Weight: | 437.45 |
Molecular Formula: | C22 H23 N5 O5 |
Smiles: | CCc1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)OC)OC)=O)N=N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.834 |
logD: | 1.8339 |
logSw: | -2.5822 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.783 |
InChI Key: | GYAWGVNLMMLQEQ-UHFFFAOYSA-N |