4-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0641 |
| Compound Name: | 4-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C22 H26 F3 N7 O2 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(CCn1cnnn1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7334 |
| logD: | 1.7334 |
| logSw: | -2.5823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 84.985 |
| InChI Key: | NJHHAGOMYXYCDJ-LAUBAEHRSA-N |