4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(ethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(ethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(ethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0312 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(ethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C22 H28 F3 N3 O3 S |
| Smiles: | CCS(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.3479 |
| logD: | 3.3479 |
| logSw: | -3.5621 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.205 |
| InChI Key: | JOEIKWOPNXQXRO-NQIIRXRSSA-N |