3-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
3-{[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
Compound ID: | T604-0297 |
Compound Name: | 3-{[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(Cc2cccc(C#N)c2)C(c2ccc(cc2)F)=N1)=O |
Stereo: | ACHIRAL |
logP: | 2.2588 |
logD: | 2.2587 |
logSw: | -2.554 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.713 |
InChI Key: | NMCYOEKTESJYQQ-UHFFFAOYSA-N |