2-(2-chlorophenyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-(2-chlorophenyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-2051 |
| Compound Name: | 2-(2-chlorophenyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C17 H23 Cl N2 O4 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(Cc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4362 |
| logD: | 1.4362 |
| logSw: | -2.2802 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.844 |
| InChI Key: | SKTQHQGNFHLULR-RHSMWYFYSA-N |