1-[rel-(3aR,7aR)-5-(4-ethylbenzoyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(4-ethylbenzoyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(4-ethylbenzoyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-1024 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(4-ethylbenzoyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C19 H26 N2 O3 |
| Smiles: | CCc1ccc(cc1)C(N1CC[C@H]2CN(C[C@]2(C1)CO)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4244 |
| logD: | 1.4244 |
| logSw: | -1.7854 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.284 |
| InChI Key: | DVZPRRWXVXBSCW-IEBWSBKVSA-N |