N-(3-chlorophenyl)-2-[({3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[({3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[({3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]acetamide
Compound characteristics
Compound ID: | K815-1029 |
Compound Name: | N-(3-chlorophenyl)-2-[({3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]acetamide |
Molecular Weight: | 458.9 |
Molecular Formula: | C20 H16 Cl F N6 O2 S |
Smiles: | C(c1ccc(cc1)F)n1c2c(c(nc(CSCC(Nc3cccc(c3)[Cl])=O)n2)O)nn1 |
Stereo: | ACHIRAL |
logP: | 3.4925 |
logD: | 2.1785 |
logSw: | -3.7879 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.694 |
InChI Key: | VHNCMXAFUBODPC-UHFFFAOYSA-N |