4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0552 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 497.54 |
| Molecular Formula: | C22 H26 F3 N5 O3 S |
| Smiles: | CCOC[C@]12CN(C[C@@H]2CCN(C1)S(c1cn(C)cn1)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 2.1864 |
| logD: | 2.1864 |
| logSw: | -2.8078 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.823 |
| InChI Key: | CHRUCDQAONYGKK-UTKZUKDTSA-N |