4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-1886 |
| Compound Name: | 4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzene-1-sulfonamide |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C19 H28 N4 O3 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NS(c1ccc(C#N)cc1)(=O)=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9843 |
| logD: | -0.7201 |
| logSw: | -2.3911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.504 |
| InChI Key: | ADTOQNDMHNPRJJ-LPHOPBHVSA-N |