1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S996-0232 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(CCCc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6126 |
| logD: | 1.6126 |
| logSw: | -2.05 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.844 |
| InChI Key: | BFRZHZJVGIMFOO-IEBWSBKVSA-N |