N-{[rel-(3R,4S)-1-(4-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
Chemical Structure Depiction of
N-{[rel-(3R,4S)-1-(4-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
N-{[rel-(3R,4S)-1-(4-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
Compound characteristics
| Compound ID: | S618-0849 |
| Compound Name: | N-{[rel-(3R,4S)-1-(4-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C17 H24 N4 O3 S |
| Smiles: | CC(NC[C@H]1CCN(C[C@H]1N(C)C)S(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2061 |
| logD: | -0.1282 |
| logSw: | -2.2833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.434 |
| InChI Key: | CKRYWBWEEIXXQM-WBVHZDCISA-N |