3-methyl-7-(3-phenylpropyl)-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-(3-phenylpropyl)-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-(3-phenylpropyl)-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D226-0151 |
Compound Name: | 3-methyl-7-(3-phenylpropyl)-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 394.45 |
Molecular Formula: | C19 H18 N6 O2 S |
Smiles: | CN1C(NC(c2c1nc(n2CCCc1ccccc1)Sc1ncccn1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0899 |
logD: | 3.0892 |
logSw: | -3.5517 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.064 |
InChI Key: | OKYGZLUGBRIXBS-UHFFFAOYSA-N |