1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C200-3892 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 376.75 |
| Molecular Formula: | C17 H11 Cl F2 N4 O2 |
| Smiles: | C(c1ccc(cc1[Cl])F)N1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.55 |
| logD: | 2.5498 |
| logSw: | -3.1406 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | FPQQRMPCYHTFSG-UHFFFAOYSA-N |