8-{[(3-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(3-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[(3-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4281-0237 |
| Compound Name: | 8-{[(3-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCc2cccc(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0088 |
| logD: | 5.0088 |
| logSw: | -4.7624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | ZWPRNSCDKONWHK-UHFFFAOYSA-N |