1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | S858-1038 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxy-3-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | CC(N1C[C@@H]2CCN(Cc3ccc(c(C)c3)OC)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4536 |
| logD: | -0.4305 |
| logSw: | -1.9312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.999 |
| InChI Key: | LXONQCVPVPDDSH-IEBWSBKVSA-N |