3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-ethoxyphenyl)-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: | F722-1059 |
| Compound Name: | 3-(4-ethoxyphenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | CCOc1ccc(cc1)c1nnc2N(Cc3cccc(C)c3)C3=C(N(C)C(NC3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.2206 |
| logD: | 4.2188 |
| logSw: | -4.2261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.531 |
| InChI Key: | YCFGGARXQUTGSA-UHFFFAOYSA-N |