N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide
Compound characteristics
| Compound ID: | S639-3353 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C17 H27 N3 O4 S |
| Smiles: | Cc1cc(ccc1C(N[C@@H]1CN(C[C@H]1CN(C)C)S(C)(=O)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.079 |
| logD: | -0.8458 |
| logSw: | -2.5243 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.714 |
| InChI Key: | XFXRZGBYWPQXAC-CZUORRHYSA-N |