N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
Compound characteristics
| Compound ID: | S823-1924 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C19 H24 N2 O3 |
| Smiles: | Cc1cc(C(N[C@@H]2CN(Cc3ccccc3)C[C@H]2CO)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0646 |
| logD: | 0.6988 |
| logSw: | -3.072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.403 |
| InChI Key: | KXRVUNYVHNEMQZ-AEFFLSMTSA-N |