N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methylbenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | S639-1655 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-methylbenzamide |
| Molecular Weight: | 345.48 |
| Molecular Formula: | C20 H31 N3 O2 |
| Smiles: | Cc1cccc(c1)C(N[C@@H]1CN(C[C@H]1CN(C)C)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5024 |
| logD: | -0.61 |
| logSw: | -2.1192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.889 |
| InChI Key: | BIOXQPFPQBUAKU-HKUYNNGSSA-N |