4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0412 |
| Compound Name: | 4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C24 H29 F3 N4 O2 S |
| Smiles: | Cc1c(CN2CC[C@@H]3CN(C[C@@]3(C2)COCCOC)c2ccc(C#N)c(c2)C(F)(F)F)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8287 |
| logD: | 2.086 |
| logSw: | -3.159 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.275 |
| InChI Key: | NSYWSWOBAMZLAR-AUSIDOKSSA-N |