7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8018-5615 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 362.42 |
| Molecular Formula: | C17 H19 F N4 O2 S |
| Smiles: | CCCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.9909 |
| logD: | 3.9909 |
| logSw: | -3.9354 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | KLFUPOICCNBIHH-UHFFFAOYSA-N |