3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-nitroquinazolin-4(3H)-one
3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-7089 |
| Compound Name: | 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 442.86 |
| Molecular Formula: | C21 H19 Cl N4 O5 |
| Smiles: | C1CN(CCC1(c1ccc(cc1)[Cl])O)C(CN1C=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6116 |
| logD: | 1.6116 |
| logSw: | -2.7906 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.947 |
| InChI Key: | WPWCMDVTUWSSIU-UHFFFAOYSA-N |