1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[3-(trifluoromethyl)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[3-(trifluoromethyl)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[3-(trifluoromethyl)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | CM2432-2868 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[3-(trifluoromethyl)benzoyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 370.37 |
| Molecular Formula: | C18 H21 F3 N2 O3 |
| Smiles: | CC(N1CC[C@@]2(CN(C[C@@H]2C1)C(c1cccc(c1)C(F)(F)F)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1491 |
| logD: | 1.1491 |
| logSw: | -1.8804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.284 |
| InChI Key: | VBSVUIXDAJWGJM-NVXWUHKLSA-N |