4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(2,2-dimethylbutanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(2,2-dimethylbutanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(2,2-dimethylbutanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0352 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(2,2-dimethylbutanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 477.57 |
| Molecular Formula: | C26 H34 F3 N3 O2 |
| Smiles: | CCC(C)(C)C(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1108 |
| logD: | 5.1108 |
| logSw: | -4.9775 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.248 |
| InChI Key: | YDYCMVDZZDTCCQ-CJFMBICVSA-N |