rel-(3R,4R)-1-(3-cyanobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(3-cyanobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(3-cyanobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-3554 |
| Compound Name: | rel-(3R,4R)-1-(3-cyanobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C16 H19 N3 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1COC)C(c1cccc(C#N)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0887 |
| logD: | -0.0887 |
| logSw: | -1.8933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.435 |
| InChI Key: | VRIUGWRTVCOXCQ-UONOGXRCSA-N |