N-{4-[rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]phenyl}acetamide
N-{4-[rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | S948-5110 |
| Compound Name: | N-{4-[rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl]phenyl}acetamide |
| Molecular Weight: | 486.49 |
| Molecular Formula: | C25 H25 F3 N4 O3 |
| Smiles: | [H]OC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(cc1)NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0467 |
| logD: | 2.0465 |
| logSw: | -3.1077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.667 |
| InChI Key: | UQOISRJHWMZOCW-NTKDMRAZSA-N |