N-[rel-(3R,4S)-1-(4-cyanobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(4-cyanobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(4-cyanobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | S823-4589 |
| Compound Name: | N-[rel-(3R,4S)-1-(4-cyanobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 287.32 |
| Molecular Formula: | C15 H17 N3 O3 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1CO)C(c1ccc(C#N)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6174 |
| logD: | -0.6174 |
| logSw: | -1.437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.798 |
| InChI Key: | MCSYKUUZAYAUCN-UONOGXRCSA-N |