8-[(2-aminophenyl)sulfanyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-aminophenyl)sulfanyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2-aminophenyl)sulfanyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 7599-1017 |
Compound Name: | 8-[(2-aminophenyl)sulfanyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 411.46 |
Molecular Formula: | C20 H18 F N5 O2 S |
Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)F)Sc2ccccc2N)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7676 |
logD: | 3.7676 |
logSw: | -3.9753 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.111 |
InChI Key: | OAVCNURLWMWPQF-UHFFFAOYSA-N |