cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | S858-1409 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | Cc1cc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(C2CC2)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1614 |
| logD: | 0.2774 |
| logSw: | -2.4118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.783 |
| InChI Key: | BRBJEZDPSXJNMB-WIYYLYMNSA-N |