1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-9070 |
| Compound Name: | 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1464 |
| logD: | 4.1401 |
| logSw: | -4.1934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.558 |
| InChI Key: | XUIKQTIHLDHJNL-UHFFFAOYSA-N |