rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(2-methoxyethyl)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-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0385 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 480.53 |
| Molecular Formula: | C24 H31 F3 N4 O3 |
| Smiles: | COCCNC(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4207 |
| logD: | 3.4207 |
| logSw: | -3.6582 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.575 |
| InChI Key: | TUJIECAVZGFHDB-AUSIDOKSSA-N |