rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-2452 |
| Compound Name: | rel-(3R,4R)-1-[(2-cyanophenyl)methyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C16 H21 N3 O2 |
| Smiles: | CNC([C@@H]1CN(Cc2ccccc2C#N)C[C@H]1COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7467 |
| logD: | -0.6988 |
| logSw: | -2.2741 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.519 |
| InChI Key: | JSANOKLLQCLUBO-CABCVRRESA-N |