4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | T604-0296 |
| Compound Name: | 4-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C21 H18 F N3 O2 |
| Smiles: | CC1=C(CCO)C(N(Cc2ccc(C#N)cc2)C(c2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3388 |
| logD: | 2.3386 |
| logSw: | -2.438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.713 |
| InChI Key: | BJOPKIGRNVGZGO-UHFFFAOYSA-N |