4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0331 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 485.57 |
| Molecular Formula: | C23 H30 F3 N3 O3 S |
| Smiles: | CC(C)S(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8883 |
| logD: | 3.8883 |
| logSw: | -4.0002 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.31 |
| InChI Key: | VGGPQWJOWWBHEU-KNQAVFIVSA-N |