N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-4-methyloxane-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-4-methyloxane-4-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-4-methyloxane-4-carboxamide
Compound characteristics
| Compound ID: | S639-8359 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-4-methyloxane-4-carboxamide |
| Molecular Weight: | 359.51 |
| Molecular Formula: | C21 H33 N3 O2 |
| Smiles: | CC1(CCOCC1)C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7316 |
| logD: | -0.3927 |
| logSw: | -2.1153 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.528 |
| InChI Key: | DLDWSGWBMVISHI-OALUTQOASA-N |