2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | 8014-9074 |
Compound Name: | 2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 487.94 |
Molecular Formula: | C22 H19 Cl F N5 O3 S |
Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])SCC(Nc2ccccc2F)=O)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.236 |
logD: | 4.2359 |
logSw: | -4.5995 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.466 |
InChI Key: | GKJOHOXLWREIDY-UHFFFAOYSA-N |