1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(4-propoxyphenyl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(4-propoxyphenyl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(4-propoxyphenyl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
Compound ID: | S858-3623 |
Compound Name: | 1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(4-propoxyphenyl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
Molecular Weight: | 346.47 |
Molecular Formula: | C20 H30 N2 O3 |
Smiles: | CCCOc1ccc(CN2C[C@@H]3CCN(C[C@@]3(C2)CO)C(C)=O)cc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.0378 |
logD: | -1.3719 |
logSw: | -2.1238 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.786 |
InChI Key: | JRHVRDACUUWWRA-QUCCMNQESA-N |