3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0148 |
| Compound Name: | 3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C20 H20 N6 O2 S |
| Smiles: | Cc1ccnc(n1)Sc1nc2c(C(NC(N2C)=O)=O)n1CCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6769 |
| logD: | 3.6762 |
| logSw: | -3.9159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.439 |
| InChI Key: | DRTXEKGGXURUTL-UHFFFAOYSA-N |