9-butyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-butyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-butyl-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
Compound ID: | F722-0074 |
Compound Name: | 9-butyl-5-methyl-3-(4-methylphenyl)-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: | CCCCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(C)cc3)nnc12 |
Stereo: | ACHIRAL |
logP: | 3.29 |
logD: | 3.2858 |
logSw: | -3.3171 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.658 |
InChI Key: | XNYPXCIUTASKJO-UHFFFAOYSA-N |