1-(3-chlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-chlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-chlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0338 |
| Compound Name: | 1-(3-chlorophenyl)-5-(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])N1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6088 |
| logD: | 2.6085 |
| logSw: | -3.0925 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | IBGHXRBIUHSOAN-UHFFFAOYSA-N |