cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | S858-1284 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | COc1ccccc1CN1CC[C@H]2CN(C[C@]2(C1)CO)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8612 |
| logD: | 0.0026 |
| logSw: | -2.0254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.783 |
| InChI Key: | TXKOJWZGIZOUCT-YLJYHZDGSA-N |