2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide
2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide
Compound characteristics
Compound ID: | E196-0035 |
Compound Name: | 2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide |
Molecular Weight: | 475.57 |
Molecular Formula: | C25 H25 N5 O3 S |
Smiles: | CCC(C(Nc1cc(C)ccc1OC)=O)SC1=Nc2c(C(N1Cc1ccccc1)=O)nccn2 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2137 |
logD: | 4.2136 |
logSw: | -4.2254 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.599 |
InChI Key: | XTUGINRSSSOJGS-FQEVSTJZSA-N |