7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D226-0079 |
Compound Name: | 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 429.54 |
Molecular Formula: | C20 H27 N7 O2 S |
Smiles: | Cc1cc(C)nc(n1)SCCn1c2C(N(C)C(N(C)c2nc1N1CCCCC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9421 |
logD: | 2.9405 |
logSw: | -2.9484 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.582 |
InChI Key: | QWNVYJYBUQZEPK-UHFFFAOYSA-N |