cyclopropyl[rel-(3aR,7aS)-5-[(2-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(2-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(2-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | S858-1421 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(2-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CCOc1ccccc1CN1CC[C@H]2CN(C[C@]2(C1)CO)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2493 |
| logD: | -0.3212 |
| logSw: | -2.2193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.363 |
| InChI Key: | XBRCQYDDTSVLEK-WIYYLYMNSA-N |