5-methyl-3-(4-methylphenyl)-9-(2-methylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5-methyl-3-(4-methylphenyl)-9-(2-methylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-3-(4-methylphenyl)-9-(2-methylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
Compound ID: | F722-0091 |
Compound Name: | 5-methyl-3-(4-methylphenyl)-9-(2-methylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
Molecular Weight: | 352.39 |
Molecular Formula: | C18 H20 N6 O2 |
Smiles: | CC(C)CN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(C)cc3)nnc12 |
Stereo: | ACHIRAL |
logP: | 3.2677 |
logD: | 3.2635 |
logSw: | -3.4216 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.679 |
InChI Key: | DJUZYHHCPUUGDN-UHFFFAOYSA-N |