2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide
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-(4-phenoxyphenyl)acetamide
2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide
Compound characteristics
Compound ID: | C433-0151 |
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-(4-phenoxyphenyl)acetamide |
Molecular Weight: | 485.5 |
Molecular Formula: | C26 H23 N5 O5 |
Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(cc1)Oc1ccccc1)=O)N=N2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.3047 |
logD: | 3.3046 |
logSw: | -3.6196 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.393 |
InChI Key: | CRFLPKDXODINNQ-UHFFFAOYSA-N |