rel-(3R,4R)-1-[(4-bromophenyl)acetyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[(4-bromophenyl)acetyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[(4-bromophenyl)acetyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-4068 |
| Compound Name: | rel-(3R,4R)-1-[(4-bromophenyl)acetyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 355.23 |
| Molecular Formula: | C15 H19 Br N2 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1CO)C(Cc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8858 |
| logD: | 0.8858 |
| logSw: | -1.9803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.543 |
| InChI Key: | SSQMPDVUKFGAEN-WCQYABFASA-N |