3-(5-bromo-2-methoxyphenyl)-5-methyl-9-[(3-methylphenyl)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)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(5-bromo-2-methoxyphenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0997 |
| Compound Name: | 3-(5-bromo-2-methoxyphenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C22 H19 Br N6 O3 |
| Smiles: | Cc1cccc(CN2C3=C(N(C)C(NC3=O)=O)n3c(c4cc(ccc4OC)[Br])nnc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3225 |
| logD: | 4.3208 |
| logSw: | -4.4444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.038 |
| InChI Key: | SWKMNDKHEOVBFN-UHFFFAOYSA-N |