2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
Chemical Structure Depiction of
2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
Compound characteristics
Compound ID: | J095-0088 |
Compound Name: | 2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide |
Molecular Weight: | 387.31 |
Molecular Formula: | C14 H9 F4 N5 O2 S |
Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1c(c(cc(c1F)F)F)F)=O |
Stereo: | ACHIRAL |
logP: | 1.1486 |
logD: | -0.9583 |
logSw: | -2.2907 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.266 |
InChI Key: | OBPWTQKGJARLQN-UHFFFAOYSA-N |