7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-5197 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C23 H19 F N6 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC2Nc3ccccc3C(N=2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7229 |
| logD: | 3.6853 |
| logSw: | -3.9668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.948 |
| InChI Key: | VDIOPSDNSWWROX-UHFFFAOYSA-N |