rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | S954-0464 |
Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide |
Molecular Weight: | 464.53 |
Molecular Formula: | C24 H31 F3 N4 O2 |
Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(C(C)C)=O)=O |
Stereo: | RELATIVE |
logP: | 3.1035 |
logD: | 3.1035 |
logSw: | -3.1766 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.939 |
InChI Key: | GVNCSSWBYMEJLX-UXHICEINSA-N |