3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1000 |
| Compound Name: | 3-(5-bromo-2-methoxyphenyl)-9-[(2-fluorophenyl)methyl]-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 499.3 |
| Molecular Formula: | C21 H16 Br F N6 O3 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(Cc1ccccc1F)c1nnc(c3cc(ccc3OC)[Br])n12 |
| Stereo: | ACHIRAL |
| logP: | 3.8163 |
| logD: | 3.8146 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.038 |
| InChI Key: | JWJAGKOSEVFWNK-UHFFFAOYSA-N |