N-(2-chloro-4-methylphenyl)-2-[5-(4-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-chloro-4-methylphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2-chloro-4-methylphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
Compound ID: | C338-0196 |
Compound Name: | N-(2-chloro-4-methylphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
Molecular Weight: | 432.26 |
Molecular Formula: | C19 H15 Cl2 N5 O3 |
Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.5642 |
logD: | 2.564 |
logSw: | -3.2156 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.824 |
InChI Key: | WWXIEFHZVWABNB-UHFFFAOYSA-N |