N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide
Compound characteristics
| Compound ID: | S639-1702 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-4-methoxy-2-methylbenzamide |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C21 H33 N3 O3 |
| Smiles: | Cc1cc(ccc1C(N[C@@H]1CN(C[C@H]1CN(C)C)C1CCOCC1)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8395 |
| logD: | -0.2729 |
| logSw: | -2.5454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.433 |
| InChI Key: | CJSOQJNBYMRGAX-JXFKEZNVSA-N |