(4R)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-4-hydroxy-N-methyl-L-prolinamide
Chemical Structure Depiction of
(4R)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-4-hydroxy-N-methyl-L-prolinamide
(4R)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-4-hydroxy-N-methyl-L-prolinamide
Compound characteristics
| Compound ID: | S596-1269 |
| Compound Name: | (4R)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-4-hydroxy-N-methyl-L-prolinamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CNC([C@@H]1C[C@H](CN1C1CCN(CC1)C(CCc1nc2ccccc2s1)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2629 |
| logD: | 0.9911 |
| logSw: | -2.1727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.219 |
| InChI Key: | UHXSNTDHYTZMEF-WBVHZDCISA-N |