1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(5-methylpyridin-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(5-methylpyridin-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(5-methylpyridin-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0350 |
| Compound Name: | 1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(5-methylpyridin-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 303.4 |
| Molecular Formula: | C17 H25 N3 O2 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3ccc(C)cn3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5812 |
| logD: | -3.2947 |
| logSw: | -1.2204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.001 |
| InChI Key: | RFWDZAVUDJTBIN-NVXWUHKLSA-N |