1-[rel-(3aR,7aS)-2-(2-chloro-4-fluorobenzoyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(2-chloro-4-fluorobenzoyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(2-chloro-4-fluorobenzoyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM2432-2873 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(2-chloro-4-fluorobenzoyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 354.81 |
| Molecular Formula: | C17 H20 Cl F N2 O3 |
| Smiles: | CC(N1CC[C@@]2(CN(C[C@@H]2C1)C(c1ccc(cc1[Cl])F)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0554 |
| logD: | 1.0554 |
| logSw: | -2.7878 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.284 |
| InChI Key: | FJDDODAQDMUDEN-SJKOYZFVSA-N |