N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | S639-3421 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C18 H29 N3 O4 S |
| Smiles: | CCOc1ccc(CC(N[C@@H]2CN(C[C@H]2CN(C)C)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6333 |
| logD: | -1.3489 |
| logSw: | -2.3884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.08 |
| InChI Key: | KIQOLVAXXFQJNK-NVXWUHKLSA-N |