rel-(3aR,7aS)-5-acetyl-N-(2,5-dimethylphenyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-acetyl-N-(2,5-dimethylphenyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-acetyl-N-(2,5-dimethylphenyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S997-1613 |
| Compound Name: | rel-(3aR,7aS)-5-acetyl-N-(2,5-dimethylphenyl)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(Nc1cc(C)ccc1C)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1664 |
| logD: | 2.1664 |
| logSw: | -2.7238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.351 |
| InChI Key: | CKUPGIZYFUWPKI-WIYYLYMNSA-N |