N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
Compound ID: | C338-0302 |
Compound Name: | N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
Molecular Weight: | 395.39 |
Molecular Formula: | C20 H18 F N5 O3 |
Smiles: | Cc1cccc(C)c1NC(CN1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.4594 |
logD: | 1.4593 |
logSw: | -2.2677 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.126 |
InChI Key: | AOWINCBCKXVUAU-UHFFFAOYSA-N |