N-(2,4-dichlorophenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
Chemical Structure Depiction of
N-(2,4-dichlorophenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
N-(2,4-dichlorophenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
Compound characteristics
Compound ID: | C433-0173 |
Compound Name: | N-(2,4-dichlorophenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide |
Molecular Weight: | 460.32 |
Molecular Formula: | C21 H19 Cl2 N5 O3 |
Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(cc1[Cl])[Cl])=O)N=N2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5256 |
logD: | 3.5168 |
logSw: | -3.8823 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.824 |
InChI Key: | YKOYFHNRBGAZBW-UHFFFAOYSA-N |