1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-3848 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C19 H26 N2 O3 |
| Smiles: | CC(N1CC[C@H]2CN(C[C@]2(C1)CO)C(c1ccc(C)c(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4271 |
| logD: | 1.4271 |
| logSw: | -1.8601 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.284 |
| InChI Key: | MESSXTHQTAGNEO-IEBWSBKVSA-N |