2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C338-0598 |
| Compound Name: | 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 429.84 |
| Molecular Formula: | C20 H17 Cl F N5 O3 |
| Smiles: | Cc1ccc(CNC(CN2C3C(C(N(C3=O)c3ccc(c(c3)[Cl])F)=O)N=N2)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8416 |
| logD: | 1.8414 |
| logSw: | -2.9 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.844 |
| InChI Key: | SSLDCSONXICLCR-UHFFFAOYSA-N |