9-ethyl-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-ethyl-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-ethyl-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0024 |
| Compound Name: | 9-ethyl-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 340.34 |
| Molecular Formula: | C16 H16 N6 O3 |
| Smiles: | CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)OC)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 1.8853 |
| logD: | 1.8811 |
| logSw: | -2.4364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.948 |
| InChI Key: | FGDIWMKZUQRZOG-UHFFFAOYSA-N |