2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
Compound ID: | E196-0013 |
Compound Name: | 2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
Molecular Weight: | 417.49 |
Molecular Formula: | C22 H19 N5 O2 S |
Smiles: | Cc1ccc(cc1)NC(CSC1=Nc2c(C(N1Cc1ccccc1)=O)nccn2)=O |
Stereo: | ACHIRAL |
logP: | 3.4907 |
logD: | 3.4907 |
logSw: | -3.7166 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.453 |
InChI Key: | NXGHKBTZODDNEW-UHFFFAOYSA-N |