1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(2,4,6-trimethylbenzoyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(2,4,6-trimethylbenzoyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(2,4,6-trimethylbenzoyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM2432-3007 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(2,4,6-trimethylbenzoyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(N1CC[C@@]2(CN(C[C@@H]2C1)C(c1c(C)cc(C)cc1C)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0707 |
| logD: | 2.0707 |
| logSw: | -2.1181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.284 |
| InChI Key: | CDNPEWCDGQDMKS-YLJYHZDGSA-N |