7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 3601-0434 |
Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 354.79 |
Molecular Formula: | C14 H12 Cl F N4 O2 S |
Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])F)S)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0031 |
logD: | 2.997 |
logSw: | -3.4191 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.76 |
InChI Key: | FEYOWZMZRUEWLN-UHFFFAOYSA-N |