7-benzyl-8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3175-0313 |
| Compound Name: | 7-benzyl-8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H19 F N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2148 |
| logD: | 4.2148 |
| logSw: | -4.2522 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | IPLRDHOSTLODLG-UHFFFAOYSA-N |