3-methyl-7-[(4-methylphenyl)methyl]-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(4-methylphenyl)methyl]-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(4-methylphenyl)methyl]-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1744 |
| Compound Name: | 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C18 H22 N4 O2 S |
| Smiles: | CC(C)CSc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1828 |
| logD: | 4.1828 |
| logSw: | -4.0667 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.2 |
| InChI Key: | WNNVCUBRMUPPQE-UHFFFAOYSA-N |