(4S)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-N-methyl-4-phenoxy-L-prolinamide
Chemical Structure Depiction of
(4S)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-N-methyl-4-phenoxy-L-prolinamide
(4S)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-N-methyl-4-phenoxy-L-prolinamide
Compound characteristics
| Compound ID: | S720-2417 |
| Compound Name: | (4S)-1-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-N-methyl-4-phenoxy-L-prolinamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CNC([C@@H]1C[C@@H](CN1C1CCN(CC1)C(CCc1nc2ccccc2s1)=O)Oc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4073 |
| logD: | 3.3837 |
| logSw: | -3.6889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.759 |
| InChI Key: | CDYLUSQMNMNOLP-GGAORHGYSA-N |