2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C338-0157 |
| Compound Name: | 2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 401.78 |
| Molecular Formula: | C18 H13 Cl F N5 O3 |
| Smiles: | C(C(Nc1cccc(c1)F)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9938 |
| logD: | 1.9936 |
| logSw: | -2.9799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | XTGYYZWLJJFELT-UHFFFAOYSA-N |