5-(3-chlorophenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0456 |
| Compound Name: | 5-(3-chlorophenyl)-1-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 344.73 |
| Molecular Formula: | C16 H10 Cl F N4 O2 |
| Smiles: | c1cc(cc(c1)[Cl])N1C(C2C(C1=O)N(c1ccc(cc1)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6395 |
| logD: | 2.6383 |
| logSw: | -3.2011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | OERRKNSIEISAOU-UHFFFAOYSA-N |