rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | S954-0021 |
Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide |
Molecular Weight: | 476.52 |
Molecular Formula: | C23 H23 F3 N4 O2 S |
Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)C(c1cccs1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
Stereo: | RELATIVE |
logP: | 2.9587 |
logD: | 2.9587 |
logSw: | -3.3455 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.434 |
InChI Key: | VUXOGMQJSKCUOX-ZWKOTPCHSA-N |