2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | L392-1951 |
| Compound Name: | 2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | CC(C)C1=NC2CN(CCC=2C(N1CC(NCc1cccc(c1)C(F)(F)F)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.832 |
| logD: | 2.1956 |
| logSw: | -3.9631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.537 |
| InChI Key: | GEKYJLMCOKKUEV-UHFFFAOYSA-N |