rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(propan-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(propan-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(propan-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0348 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(propan-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 464.53 |
| Molecular Formula: | C24 H31 F3 N4 O2 |
| Smiles: | CC(C)NC(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0358 |
| logD: | 4.0358 |
| logSw: | -4.2154 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.365 |
| InChI Key: | QLITVWYVOBXOCM-AUSIDOKSSA-N |