7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-0627 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C15 H15 F N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2574 |
| logD: | 3.2574 |
| logSw: | -3.2851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | NUSTZTCKTASAIO-UHFFFAOYSA-N |