cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | S858-1375 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(2-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C20 H28 N2 O2 |
| Smiles: | Cc1ccccc1CN1CC[C@H]2CN(C[C@]2(C1)CO)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5278 |
| logD: | 0.9054 |
| logSw: | -2.1423 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.152 |
| InChI Key: | KMXSDZGFBQJEJE-UYAOXDASSA-N |