3-(4-ethoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-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-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-ethoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1084 |
| Compound Name: | 3-(4-ethoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CCOc1ccc(cc1)c1nnc2N(CCC(C)C)C3=C(N(C)C(N(C)C3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.8865 |
| logD: | 3.8865 |
| logSw: | -3.857 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.867 |
| InChI Key: | SGCFJYXLPYSTPQ-UHFFFAOYSA-N |