2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-ethoxyphenyl)acetamide
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
Compound ID: | C338-0606 |
Compound Name: | 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-ethoxyphenyl)acetamide |
Molecular Weight: | 445.84 |
Molecular Formula: | C20 H17 Cl F N5 O4 |
Smiles: | CCOc1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)[Cl])F)=O)N=N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2094 |
logD: | 2.2092 |
logSw: | -3.3373 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.646 |
InChI Key: | QULHZFYIYZOCNT-UHFFFAOYSA-N |