4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)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-[(cyclopropylmethoxy)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-[(cyclopropylmethoxy)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: | S947-0323 |
| Compound Name: | 4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 490.59 |
| Molecular Formula: | C25 H29 F3 N4 O S |
| Smiles: | Cc1c(CN2CC[C@H]3CN(C[C@]3(C2)COCC2CC2)c2ccc(C#N)c(c2)C(F)(F)F)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2968 |
| logD: | 3.5542 |
| logSw: | -4.3265 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.265 |
| InChI Key: | LGFHHLNEUXGUTF-HYBUGGRVSA-N |