8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3615-0207 |
| Compound Name: | 8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 362.42 |
| Molecular Formula: | C17 H19 F N4 O2 S |
| Smiles: | CCCn1c2C(N(C)C(N(C)c2nc1SCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5081 |
| logD: | 3.5081 |
| logSw: | -3.6277 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.265 |
| InChI Key: | MPNZQOTVKNMMJW-UHFFFAOYSA-N |