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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C433-0175 |
| 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-fluorophenyl)acetamide |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C21 H20 F N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1cccc(c1)F)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7372 |
| logD: | 2.7371 |
| logSw: | -3.0715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | QIJNGLDUBFFTBF-UHFFFAOYSA-N |