rel-(3aR,7aS)-5-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-5-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0716 |
| Compound Name: | rel-(3aR,7aS)-5-[(2-chlorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 372.91 |
| Molecular Formula: | C17 H25 Cl N2 O3 S |
| Smiles: | COC[C@]12CCN(Cc3ccccc3[Cl])C[C@@H]2CN(C1)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0825 |
| logD: | 1.5295 |
| logSw: | -2.7031 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.764 |
| InChI Key: | AYIZQQZCFHQPDX-DOTOQJQBSA-N |