2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N-(butan-2-yl)acetamide
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-(butan-2-yl)acetamide
2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | L392-0806 |
| Compound Name: | 2-{7-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl}-N-(butan-2-yl)acetamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | CCC(C)NC(CN1C(c2ccc(cc2)C(F)(F)F)=NC2CN(CCC=2C1=O)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9272 |
| logD: | 3.0026 |
| logSw: | -3.9502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.979 |
| InChI Key: | XCRMBZBAQRRWHB-SFHVURJKSA-N |