3-{[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
3-{[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | T604-0540 |
| Compound Name: | 3-{[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 379.84 |
| Molecular Formula: | C21 H18 Cl N3 O2 |
| Smiles: | CC1=C(CCO)C(N(Cc2cccc(C#N)c2)C(c2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8667 |
| logD: | 2.8666 |
| logSw: | -3.3646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.713 |
| InChI Key: | PLSPHXQWKVZTKH-UHFFFAOYSA-N |