8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8009-1139 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 350.82 |
| Molecular Formula: | C15 H15 Cl N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)SCc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0018 |
| logD: | 3.0018 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.096 |
| InChI Key: | WYVAFDXXXLTIGO-UHFFFAOYSA-N |