N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1455 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C26 H33 N3 O2 S |
| Smiles: | C(CC(NCCCN1CCC(CC1)Cc1ccccc1)=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1304 |
| logD: | 1.0383 |
| logSw: | -3.6558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.63 |
| InChI Key: | OIGYBQMRBRDXHA-UHFFFAOYSA-N |