2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N,N-diethylacetamide
2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | L392-0809 |
| Compound Name: | 2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N,N-diethylacetamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | CCN(CC)C(CN1C(c2ccc(cc2)C(F)(F)F)=NC2CN(CCC=2C1=O)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6859 |
| logD: | 2.7612 |
| logSw: | -3.8051 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.471 |
| InChI Key: | JZDNECQBQNGFTJ-UHFFFAOYSA-N |