2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Compound characteristics
Compound ID: | C433-0121 |
Compound Name: | 2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide |
Molecular Weight: | 393.4 |
Molecular Formula: | C20 H19 N5 O4 |
Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccccc1)=O)N=N2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.4229 |
logD: | 1.4228 |
logSw: | -2.2791 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.646 |
InChI Key: | WBRSROGTTTULRT-UHFFFAOYSA-N |