3-methyl-7-[(4-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(4-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(4-methylphenyl)methyl]-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0142 |
| Compound Name: | 3-methyl-7-[(4-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: | Cc1ccc(Cn2c3C(NC(N(C)c3nc2Sc2ncccn2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8245 |
| logD: | 2.8243 |
| logSw: | -3.2844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.086 |
| InChI Key: | XAQONNDZOSKFRZ-UHFFFAOYSA-N |