rel-(3R,4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-4679 |
| Compound Name: | rel-(3R,4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 345.21 |
| Molecular Formula: | C14 H18 Br F N2 O2 |
| Smiles: | CNC([C@@H]1CN(Cc2ccc(cc2F)[Br])C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3782 |
| logD: | -0.5569 |
| logSw: | -2.3448 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.154 |
| InChI Key: | JWUGCOGQSNCHAO-CMPLNLGQSA-N |