7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7286-2427 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | Cc1ccc(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8872 |
| logD: | 4.8872 |
| logSw: | -4.6171 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | NMWBKFVOYQELAR-UHFFFAOYSA-N |