2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methylphenyl)acetamide
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C433-0029 |
| Compound Name: | 2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 397.82 |
| Molecular Formula: | C19 H16 Cl N5 O3 |
| Smiles: | Cc1cccc(c1)NC(CN1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2451 |
| logD: | 2.2449 |
| logSw: | -3.2925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | QQEGIWFIPAGCEK-UHFFFAOYSA-N |