4-[rel-(3aR,7aR)-5-(5-chlorothiophene-2-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(5-chlorothiophene-2-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(5-chlorothiophene-2-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0091 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(5-chlorothiophene-2-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 469.91 |
| Molecular Formula: | C21 H19 Cl F3 N3 O2 S |
| Smiles: | [H]OC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(s1)[Cl])=O |
| Stereo: | RELATIVE |
| logP: | 3.7926 |
| logD: | 3.7926 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.424 |
| InChI Key: | WIIFFSUGJBVIBQ-JLTOFOAXSA-N |