3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]methyl}benzonitrile
3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | T604-0092 |
| Compound Name: | 3-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C21 H19 N3 O2 |
| Smiles: | CC1=C(CCO)C(N(Cc2cccc(C#N)c2)C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1247 |
| logD: | 2.1245 |
| logSw: | -2.6025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.713 |
| InChI Key: | PWVXWFRZXZQWIK-UHFFFAOYSA-N |