1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C200-3705 |
| Compound Name: | 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 433.23 |
| Molecular Formula: | C18 H14 Br F N4 O3 |
| Smiles: | COc1ccc(CN2C3C(C(N(C3=O)c3ccc(cc3)F)=O)N=N2)cc1[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1734 |
| logD: | 2.1733 |
| logSw: | -2.6755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.003 |
| InChI Key: | PNUAKWVOWBVENA-UHFFFAOYSA-N |