7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0152 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylpyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.87 |
| Molecular Formula: | C18 H15 Cl N6 O2 S |
| Smiles: | Cc1ccnc(n1)Sc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6097 |
| logD: | 3.6094 |
| logSw: | -3.7833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.46 |
| InChI Key: | IHKVOHJLGUXEEK-UHFFFAOYSA-N |