2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4(3H)-one
2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | T604-0420 |
| Compound Name: | 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 422.83 |
| Molecular Formula: | C21 H18 Cl F3 N2 O2 |
| Smiles: | CC1=C(CCO)C(N(Cc2cccc(c2)C(F)(F)F)C(c2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0068 |
| logD: | 4.0067 |
| logSw: | -4.518 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.657 |
| InChI Key: | JTDWJWZBUAMZSX-UHFFFAOYSA-N |