N-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | C433-0164 |
| Compound Name: | N-(4-chlorophenyl)-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: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(cc1)[Cl])=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1786 |
| logD: | 3.1784 |
| logSw: | -3.8567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | XWHROGRDQXFZJH-UHFFFAOYSA-N |