8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0165 |
| Compound Name: | 8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C17 H20 N4 O4 S |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2SCC(CO)O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9679 |
| logD: | 1.9679 |
| logSw: | -2.6157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.935 |
| InChI Key: | MECHKYLMRXSALE-LBPRGKRZSA-N |