rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-N-propyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-N-propyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-N-propyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0453 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-N-propyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 468.52 |
| Molecular Formula: | C23 H31 F3 N4 O3 |
| Smiles: | CCCNC(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 2.6855 |
| logD: | 2.6855 |
| logSw: | -3.0772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.242 |
| InChI Key: | MLGHBEXBUZFSHF-XMSQKQJNSA-N |