4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1,3-thiazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1,3-thiazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1,3-thiazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5223 |
| Compound Name: | 4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1,3-thiazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C21 H21 F3 N4 O2 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cscn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7396 |
| logD: | 2.7396 |
| logSw: | -3.0583 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.342 |
| InChI Key: | YUSMPIOLJDOGKY-MGPUTAFESA-N |