N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
Compound characteristics
Compound ID: | S823-2918 |
Compound Name: | N-[rel-(3R,4S)-1-[(4-cyanophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide |
Molecular Weight: | 335.4 |
Molecular Formula: | C20 H21 N3 O2 |
Smiles: | C(c1ccc(C#N)cc1)N1C[C@H]([C@@H](C1)CO)NC(c1ccccc1)=O |
Stereo: | RELATIVE |
logP: | 1.4444 |
logD: | 0.537 |
logSw: | -1.9014 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.712 |
InChI Key: | CBLHUGRRQXVQSW-MOPGFXCFSA-N |