2-({6-[(2-chlorophenyl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2-chlorophenyl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
2-({6-[(2-chlorophenyl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8602-0323 |
| Compound Name: | 2-({6-[(2-chlorophenyl)methyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 600.06 |
| Molecular Formula: | C29 H25 Cl F3 N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=NC(C2CN(Cc3ccccc3[Cl])CNC=2N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6173 |
| logD: | 5.6165 |
| logSw: | -5.9291 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.911 |
| InChI Key: | NWAWCUJDDXQHGW-UHFFFAOYSA-N |