5-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0380 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C19 H17 F N4 O4 |
| Smiles: | Cc1ccc(cc1F)N1C2C(C(N(C2=O)c2ccc(c(c2)OC)OC)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.259 |
| logD: | 2.2587 |
| logSw: | -2.5825 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.214 |
| InChI Key: | OIFCTHPZOAEFMR-UHFFFAOYSA-N |