N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methylbenzamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | S823-0962 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methylbenzamide |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C20 H24 N2 O2 |
| Smiles: | Cc1ccccc1C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4222 |
| logD: | 1.0564 |
| logSw: | -2.8291 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.656 |
| InChI Key: | UZHGCQDGFUZPTO-MJGOQNOKSA-N |