2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydropteridin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydropteridin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydropteridin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E196-0448 |
| Compound Name: | 2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydropteridin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C21 H22 F3 N5 O3 S |
| Smiles: | CC(C)OCCCN1C(=Nc2c(C1=O)nccn2)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6491 |
| logD: | 2.6491 |
| logSw: | -3.4093 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.206 |
| InChI Key: | XCXDAXAISGCCKT-UHFFFAOYSA-N |