N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluoro-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluoro-2-methylbenzene-1-sulfonamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluoro-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-3849 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-5-fluoro-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C18 H24 F N5 O2 S |
| Smiles: | Cc1ccc(cc1S(N[C@@H]1CN(C[C@H]1CN(C)C)c1ncccn1)(=O)=O)F |
| Stereo: | RELATIVE |
| logP: | 2.0567 |
| logD: | 0.1784 |
| logSw: | -2.7107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.068 |
| InChI Key: | GUKXXQYJHQNHOC-HOCLYGCPSA-N |