(4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-phenoxy-N-[(pyridin-2-yl)methyl]-L-prolinamide
Chemical Structure Depiction of
(4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-phenoxy-N-[(pyridin-2-yl)methyl]-L-prolinamide
(4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-phenoxy-N-[(pyridin-2-yl)methyl]-L-prolinamide
Compound characteristics
| Compound ID: | S943-0400 |
| Compound Name: | (4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-phenoxy-N-[(pyridin-2-yl)methyl]-L-prolinamide |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C25 H21 F3 N4 O2 |
| Smiles: | C1[C@@H](C(NCc2ccccn2)=O)N(C[C@H]1Oc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | ABSOLUTE |
| logP: | 3.7208 |
| logD: | 3.7203 |
| logSw: | -4.1725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.959 |
| InChI Key: | JWHDQYRRIMUHRU-GGAORHGYSA-N |