8-[(4-chlorophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-chlorophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-chlorophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4137-0113 |
| Compound Name: | 8-[(4-chlorophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 336.8 |
| Molecular Formula: | C14 H13 Cl N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2327 |
| logD: | 3.2327 |
| logSw: | -3.6038 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.096 |
| InChI Key: | GPHXROYWEWAGDU-UHFFFAOYSA-N |