4-[rel-(3aR,7aR)-5-(1H-indole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(1H-indole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(1H-indole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5191 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(1H-indole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C26 H25 F3 N4 O2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc2c(cc[nH]2)c1)=O |
| Stereo: | RELATIVE |
| logP: | 3.3261 |
| logD: | 3.3261 |
| logSw: | -3.5089 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.495 |
| InChI Key: | CZKLRSUFDCFTLH-CJFMBICVSA-N |