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}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
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}-N-[3-(trifluoromethyl)phenyl]acetamide
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}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C433-0177 |
| Compound Name: | 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}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 459.43 |
| Molecular Formula: | C22 H20 F3 N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1cccc(c1)C(F)(F)F)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6271 |
| logD: | 3.6266 |
| logSw: | -3.8846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | LWCBTLDTSUMBNK-UHFFFAOYSA-N |