methyl 6-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]hexanoate
Chemical Structure Depiction of
methyl 6-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]hexanoate
methyl 6-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]hexanoate
Compound characteristics
Compound ID: | 8018-1500 |
Compound Name: | methyl 6-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]hexanoate |
Molecular Weight: | 437.5 |
Molecular Formula: | C23 H27 N5 O4 |
Smiles: | Cc1ccc(cc1)C1=Cn2c3C(N(C)C(N(C)c3nc2N1CCCCCC(=O)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6892 |
logD: | 3.6892 |
logSw: | -3.7616 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.783 |
InChI Key: | KTZDBARAVDKUHP-UHFFFAOYSA-N |