4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0622 |
| Compound Name: | 4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C24 H28 F3 N5 O2 |
| Smiles: | CCn1ccc(C(N2C[C@H]3CN(CC[C@]3(C2)COCC)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6817 |
| logD: | 2.6817 |
| logSw: | -2.8844 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.734 |
| InChI Key: | VXHOXXXVTPTQTK-FDDCHVKYSA-N |