7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0161 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(pyrimidin-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.87 |
| Molecular Formula: | C18 H15 Cl N6 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])Sc2ncccn2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4382 |
| logD: | 3.4382 |
| logSw: | -3.5324 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.172 |
| InChI Key: | JVHHMZHBZJFENR-UHFFFAOYSA-N |