4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S639-1749 |
| Compound Name: | 4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 365.9 |
| Molecular Formula: | C19 H28 Cl N3 O2 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccc(cc1)[Cl])=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7261 |
| logD: | -0.3863 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.889 |
| InChI Key: | KCHIPHMJFOWKRN-YJBOKZPZSA-N |