3-(4-bromophenyl)-5-methyl-9-(3-phenylpropyl)-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-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-bromophenyl)-5-methyl-9-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0407 |
| Compound Name: | 3-(4-bromophenyl)-5-methyl-9-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C22 H19 Br N6 O2 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(CCCc1ccccc1)c1nnc(c3ccc(cc3)[Br])n12 |
| Stereo: | ACHIRAL |
| logP: | 4.6777 |
| logD: | 4.6735 |
| logSw: | -4.3157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.386 |
| InChI Key: | FKXILJOVRHHKKJ-UHFFFAOYSA-N |