4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5291 |
| Compound Name: | 4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 463.46 |
| Molecular Formula: | C21 H24 F3 N7 O2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(CCn1cnnn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3724 |
| logD: | 1.3724 |
| logSw: | -2.3234 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 85.35 |
| InChI Key: | IEORPNKMFMTXTG-OXQOHEQNSA-N |