3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | T604-0327 |
| Compound Name: | 3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(4-fluorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C24 H21 Cl F N3 O3 |
| Smiles: | CC1=C(CCO)C(N(Cc2c(C)oc(c3ccc(cc3)[Cl])n2)C(c2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6856 |
| logD: | 3.6852 |
| logSw: | -4.2211 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.779 |
| InChI Key: | PMLKTAAKIDNUAE-UHFFFAOYSA-N |