N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | S823-5505 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C16 H21 N3 O3 |
| Smiles: | COCC(N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2197 |
| logD: | -1.9323 |
| logSw: | -1.745 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.194 |
| InChI Key: | TUNAMIIMDICPJS-CABCVRRESA-N |