rel-(3R,4R)-1-(4-cyanobenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(4-cyanobenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(4-cyanobenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-0632 |
| Compound Name: | rel-(3R,4R)-1-(4-cyanobenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | C1[C@@H](COc2ccccc2)[C@@H](CN1C(c1ccc(C#N)cc1)=O)C(N)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6088 |
| logD: | 1.6088 |
| logSw: | -2.1741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.462 |
| InChI Key: | SHBKGWDDGBOJRA-FUHWJXTLSA-N |