3-(4-ethoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-ethoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1047 |
| Compound Name: | 3-(4-ethoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C17 H18 N6 O3 |
| Smiles: | CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)OCC)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.2719 |
| logD: | 2.2677 |
| logSw: | -2.8093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.528 |
| InChI Key: | RFGCYTGIYUNZBI-UHFFFAOYSA-N |