1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(5-methylthiophen-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(5-methylthiophen-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(5-methylthiophen-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S996-0935 |
| Compound Name: | 1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(5-methylthiophen-2-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 308.44 |
| Molecular Formula: | C16 H24 N2 O2 S |
| Smiles: | CC(N1CC[C@@H]2CN(Cc3ccc(C)s3)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4692 |
| logD: | -3.0379 |
| logSw: | -1.9597 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.387 |
| InChI Key: | QDZHJPNZEOMXPA-ZBFHGGJFSA-N |