7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(methylsulfanyl)ethoxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(methylsulfanyl)ethoxy]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(methylsulfanyl)ethoxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0510 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(methylsulfanyl)ethoxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.88 |
| Molecular Formula: | C17 H19 Cl N4 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])OCCSC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5586 |
| logD: | 3.5586 |
| logSw: | -3.6955 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.422 |
| InChI Key: | TWOHQKCLKDUXCP-UHFFFAOYSA-N |