4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-3869 |
| Compound Name: | 4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C18 H22 N6 O2 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NS(c1ccc(C#N)cc1)(=O)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5213 |
| logD: | -0.3571 |
| logSw: | -2.6439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.124 |
| InChI Key: | UYMQJGANVHZAQK-RDJZCZTQSA-N |