9-benzyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-benzyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-benzyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0190 |
| Compound Name: | 9-benzyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C21 H18 N6 O2 |
| Smiles: | Cc1ccc(cc1)c1nnc2N(Cc3ccccc3)C3=C(N(C)C(NC3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.6284 |
| logD: | 3.6267 |
| logSw: | -3.857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.408 |
| InChI Key: | WDNYDCIXWDSYCP-UHFFFAOYSA-N |