4-[rel-(3aR,7aR)-7a-(hydroxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-7a-(hydroxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-7a-(hydroxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5072 |
| Compound Name: | 4-[rel-(3aR,7aR)-7a-(hydroxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C21 H21 F3 N4 O3 |
| Smiles: | [H]OC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1c(C)nco1)=O |
| Stereo: | RELATIVE |
| logP: | 1.6667 |
| logD: | 1.6667 |
| logSw: | -2.3594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.32 |
| InChI Key: | VPPFGGJDCHNXMA-FOIQADDNSA-N |