2-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2-benzothiazol-3(2H)-one
2-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | Y041-8404 |
| Compound Name: | 2-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C21 H21 Cl N2 O3 S |
| Smiles: | C(CN1C(c2ccccc2S1)=O)C(N1CCC(CC1)(c1ccc(cc1)[Cl])O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5632 |
| logD: | 2.5632 |
| logSw: | -3.4004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.832 |
| InChI Key: | KCCCXJUPVUMEKE-UHFFFAOYSA-N |