2-[(7-benzyl-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-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | 6265-0054 |
Compound Name: | 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 453.49 |
Molecular Formula: | C22 H20 F N5 O3 S |
Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCC(Nc2ccccc2F)=O)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6413 |
logD: | 3.6412 |
logSw: | -3.8677 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.466 |
InChI Key: | ZXILTMWCZBHWSW-UHFFFAOYSA-N |