4-[rel-(3aR,7aR)-5-(2-chlorobenzoyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(2-chlorobenzoyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(2-chlorobenzoyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5591 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(2-chlorobenzoyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 491.94 |
| Molecular Formula: | C25 H25 Cl F3 N3 O2 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccccc1[Cl])=O |
| Stereo: | RELATIVE |
| logP: | 4.161 |
| logD: | 4.161 |
| logSw: | -4.4469 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.349 |
| InChI Key: | QKFPNHDMZOPTBR-MHECFPHRSA-N |