3-(4-ethoxyphenyl)-5,7-dimethyl-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-ethoxyphenyl)-5,7-dimethyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-ethoxyphenyl)-5,7-dimethyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1089 |
| Compound Name: | 3-(4-ethoxyphenyl)-5,7-dimethyl-9-[(2-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C24 H24 N6 O3 |
| Smiles: | CCOc1ccc(cc1)c1nnc2N(Cc3ccccc3C)C3=C(N(C)C(N(C)C3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5285 |
| logD: | 4.5285 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.617 |
| InChI Key: | VUZUGJZPFKGKAK-UHFFFAOYSA-N |