2-(3-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]pyrimidin-4(3H)-one
2-(3-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | T604-0565 |
| Compound Name: | 2-(3-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C27 H28 Cl N3 O4 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CN2C(c3cccc(c3)[Cl])=NC(C)=C(CCO)C2=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.3653 |
| logD: | 4.365 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.581 |
| InChI Key: | IUBLJKGORQWLSV-UHFFFAOYSA-N |