N-(3-fluorophenyl)-2-[5-(4-nitrophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-[5-(4-nitrophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3-fluorophenyl)-2-[5-(4-nitrophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | Y508-4341 |
| Compound Name: | N-(3-fluorophenyl)-2-[5-(4-nitrophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 412.33 |
| Molecular Formula: | C18 H13 F N6 O5 |
| Smiles: | C(C(Nc1cccc(c1)F)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[N+]([O-])=O)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3247 |
| logD: | 1.3246 |
| logSw: | -2.5074 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.903 |
| InChI Key: | JPEASLOFECOCME-UHFFFAOYSA-N |