3-(1,3-benzothiazol-2-yl)-1-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidin-1-yl)propan-1-one
3-(1,3-benzothiazol-2-yl)-1-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S723-0127 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-(4-{[4-(hydroxymethyl)phenyl]methyl}piperidin-1-yl)propan-1-one |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | C1CN(CCC1Cc1ccc(CO)cc1)C(CCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9501 |
| logD: | 3.9501 |
| logSw: | -4.0312 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.419 |
| InChI Key: | PPQNLZVUPNGWQA-UHFFFAOYSA-N |