N-(3-chlorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3-chlorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C433-0043 |
| Compound Name: | N-(3-chlorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 413.82 |
| Molecular Formula: | C19 H16 Cl N5 O4 |
| Smiles: | COc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1cccc(c1)[Cl])=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9816 |
| logD: | 1.9814 |
| logSw: | -2.957 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.066 |
| InChI Key: | JDIVWEUQJGVXAT-UHFFFAOYSA-N |