3-methyl-7-[(3-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0149 |
| Compound Name: | 3-methyl-7-[(3-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.43 |
| Molecular Formula: | C18 H16 N6 O2 S |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2Sc2ncccn2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0477 |
| logD: | 3.0475 |
| logSw: | -3.2592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.086 |
| InChI Key: | YHSBIECIBJMIQB-UHFFFAOYSA-N |