2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E140-0002 |
| Compound Name: | 2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 474.5 |
| Molecular Formula: | C23 H21 F3 N4 O2 S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(Nc1cccc(c1)C(F)(F)F)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5764 |
| logD: | 3.027 |
| logSw: | -3.8856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.095 |
| InChI Key: | ACVYHKMIDJBYIA-UHFFFAOYSA-N |