N-(2-chlorophenyl)-2-[5-(3-chlorophenyl)-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-chlorophenyl)-2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2-chlorophenyl)-2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
Compound ID: | C433-0002 |
Compound Name: | N-(2-chlorophenyl)-2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
Molecular Weight: | 418.24 |
Molecular Formula: | C18 H13 Cl2 N5 O3 |
Smiles: | C(C(Nc1ccccc1[Cl])=O)N1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.9359 |
logD: | 1.9357 |
logSw: | -2.7616 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.824 |
InChI Key: | VCYKFFFQBRXXOI-UHFFFAOYSA-N |