5-(3-fluoro-4-methylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-fluoro-4-methylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-fluoro-4-methylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0304 |
| Compound Name: | 5-(3-fluoro-4-methylphenyl)-1-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C18 H15 F N4 O3 |
| Smiles: | Cc1ccc(cc1F)N1C(C2C(C1=O)N(c1cccc(c1)OC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7653 |
| logD: | 2.7647 |
| logSw: | -2.8991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.497 |
| InChI Key: | LMNCCYMUKZPAQS-UHFFFAOYSA-N |