3-(4-methoxyphenyl)-5-methyl-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-methyl-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-methoxyphenyl)-5-methyl-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0056 |
| Compound Name: | 3-(4-methoxyphenyl)-5-methyl-9-(propan-2-yl)-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: | CC(C)N1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)OC)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.2479 |
| logD: | 2.2439 |
| logSw: | -2.8946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.944 |
| InChI Key: | KUJHRNLPJZVRSW-UHFFFAOYSA-N |