rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-(2-fluorophenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-(2-fluorophenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-(2-fluorophenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
Compound ID: | S948-5515 |
Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-(2-fluorophenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
Molecular Weight: | 490.5 |
Molecular Formula: | C25 H26 F4 N4 O2 |
Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1ccccc1F)=O |
Stereo: | RELATIVE |
logP: | 4.3211 |
logD: | 4.3211 |
logSw: | -4.2054 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.472 |
InChI Key: | DXZQRIJFCWRFCX-MHECFPHRSA-N |