4-[rel-(3aR,7aS)-2-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-2-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-2-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0186 |
| Compound Name: | 4-[rel-(3aR,7aS)-2-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 494.52 |
| Molecular Formula: | C27 H25 F3 N4 O2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)C(c1c2ccccc2ccn1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 3.6886 |
| logD: | 3.6886 |
| logSw: | -3.8419 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.261 |
| InChI Key: | JZCFECTUMOCTHO-RXFWQSSRSA-N |