N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-3,4-dimethylbenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | S639-3293 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-3,4-dimethylbenzamide |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C17 H27 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)C(N[C@@H]1CN(C[C@H]1CN(C)C)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3568 |
| logD: | -0.568 |
| logSw: | -2.453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.17 |
| InChI Key: | KADAHQVXFLIVND-HZPDHXFCSA-N |