8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C692-0153 |
Compound Name: | 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 426.52 |
Molecular Formula: | C22 H30 N6 O3 |
Smiles: | CC(C)Cn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7902 |
logD: | 2.7761 |
logSw: | -3.3467 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.403 |
InChI Key: | IUKCVEUTVPUBJX-UHFFFAOYSA-N |