2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | E196-0105 |
Compound Name: | 2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 485.49 |
Molecular Formula: | C23 H18 F3 N5 O2 S |
Smiles: | C(CN1C(=Nc2c(C1=O)nccn2)SCC(Nc1cccc(c1)C(F)(F)F)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.2097 |
logD: | 4.2094 |
logSw: | -4.3388 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.431 |
InChI Key: | VLCSSJUXNSCVSW-UHFFFAOYSA-N |