4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S947-0380 |
Compound Name: | 4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 421.46 |
Molecular Formula: | C22 H26 F3 N3 O2 |
Smiles: | CC(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.1799 |
logD: | 3.1799 |
logSw: | -3.1871 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 46.715 |
InChI Key: | IARLDSAVQOTSQA-WIYYLYMNSA-N |