4-[rel-(3aR,7aR)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0217 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C23 H25 F3 N4 O2 S |
| Smiles: | Cc1c(C(N2CC[C@@H]3CN(C[C@@]3(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4744 |
| logD: | 3.4744 |
| logSw: | -3.6878 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.103 |
| InChI Key: | CTFVMUIGBOCMOW-VGOFRKELSA-N |