N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-(methylsulfanyl)acetamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-(methylsulfanyl)acetamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-(methylsulfanyl)acetamide
Compound characteristics
| Compound ID: | S639-0888 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2-(methylsulfanyl)acetamide |
| Molecular Weight: | 322.47 |
| Molecular Formula: | C16 H26 N4 O S |
| Smiles: | CN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(CSC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2511 |
| logD: | -1.8731 |
| logSw: | -1.6305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.004 |
| InChI Key: | QTMKFUIHUZRJHW-GJZGRUSLSA-N |