5-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0556 |
| Compound Name: | 5-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 360.29 |
| Molecular Formula: | C17 H11 F3 N4 O2 |
| Smiles: | C(c1cccc(c1)F)N1C2C(C(N(C2=O)c2ccc(c(c2)F)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1486 |
| logD: | 2.1482 |
| logSw: | -2.5722 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | NJSMIBPSWNKKPB-UHFFFAOYSA-N |