4-{rel-(3aR,7aR)-5-(cyclopropylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-(cyclopropylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(cyclopropylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0357 |
| Compound Name: | 4-{rel-(3aR,7aR)-5-(cyclopropylacetyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 461.53 |
| Molecular Formula: | C25 H30 F3 N3 O2 |
| Smiles: | C1CC1CC(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0329 |
| logD: | 4.0329 |
| logSw: | -4.2146 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.972 |
| InChI Key: | BZLQDYMCFNWKKC-HYBUGGRVSA-N |