cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | S858-1402 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | Cc1ccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(C2CC2)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5141 |
| logD: | -0.835 |
| logSw: | -1.7208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.415 |
| InChI Key: | WNMZAYJKFGFEQB-CRAIPNDOSA-N |