7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-1955 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | Cc1ccccc1CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.5415 |
| logD: | 5.5415 |
| logSw: | -5.3965 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | CXVUYNGNTQEAAQ-UHFFFAOYSA-N |