N-(4-acetylphenyl)-2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(4-acetylphenyl)-2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | Y501-9693 |
| Compound Name: | N-(4-acetylphenyl)-2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | CC(c1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(C)cc2)=O)N=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2111 |
| logD: | 1.2109 |
| logSw: | -2.2673 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.349 |
| InChI Key: | UOQDDJOQEXQNPV-UHFFFAOYSA-N |