N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-methylbenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | S639-3466 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-methylbenzamide |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C16 H25 N3 O3 S |
| Smiles: | Cc1ccccc1C(N[C@@H]1CN(C[C@H]1CN(C)C)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8981 |
| logD: | -1.0267 |
| logSw: | -2.3517 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.17 |
| InChI Key: | TVICMNOVKZDJLO-UKRRQHHQSA-N |