4-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[(1H-indol-3-yl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[(1H-indol-3-yl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[(1H-indol-3-yl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S948-0040 |
Compound Name: | 4-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[(1H-indol-3-yl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 482.5 |
Molecular Formula: | C26 H25 F3 N4 O2 |
Smiles: | [H]OC[C@]12CCN(C[C@@H]2CN(C1)C(Cc1c[nH]c2ccccc12)=O)c1ccc(C#N)c(c1)C(F)(F)F |
Stereo: | RELATIVE |
logP: | 3.3141 |
logD: | 3.3141 |
logSw: | -3.4882 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.749 |
InChI Key: | GKHUCEUEKDNMMG-UQBPGWFLSA-N |