3-(4-bromophenyl)-5-methyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(4-bromophenyl)-5-methyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-bromophenyl)-5-methyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0198 |
| Compound Name: | 3-(4-bromophenyl)-5-methyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 465.31 |
| Molecular Formula: | C21 H17 Br N6 O2 |
| Smiles: | Cc1ccccc1CN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)[Br])nnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.6576 |
| logD: | 4.6558 |
| logSw: | -4.3102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.408 |
| InChI Key: | KEZOSLTWVXFPGJ-UHFFFAOYSA-N |