9-butyl-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-butyl-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-butyl-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: | F722-0073 |
| Compound Name: | 9-butyl-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C18 H20 N6 O3 |
| Smiles: | CCCCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)OC)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.849 |
| logD: | 2.8448 |
| logSw: | -3.3144 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.201 |
| InChI Key: | QHXUGBATUSINQU-UHFFFAOYSA-N |