4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(2-methylpropyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(2-methylpropyl)isoquinolin-1(2H)-one
4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(2-methylpropyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | Y041-3551 |
| Compound Name: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(2-methylpropyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C25 H27 Cl N2 O3 |
| Smiles: | CC(C)CN1C=C(C(N2CCC(CC2)(c2ccc(cc2)[Cl])O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4755 |
| logD: | 3.4755 |
| logSw: | -4.0766 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.954 |
| InChI Key: | FTTWFEKTZSIJCV-UHFFFAOYSA-N |