3-(4-methoxyphenyl)-5-methyl-9-(2-phenylethyl)-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-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-methoxyphenyl)-5-methyl-9-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0399 |
| Compound Name: | 3-(4-methoxyphenyl)-5-methyl-9-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(CCc1ccccc1)c1nnc(c3ccc(cc3)OC)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.2865 |
| logD: | 3.2825 |
| logSw: | -3.6024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.93 |
| InChI Key: | PQBUGJBJJHSZET-UHFFFAOYSA-N |