[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol--hydrogen chloride (1/1)
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol--hydrogen chloride (1/1)
[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S996-0209 |
| Compound Name: | [rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol--hydrogen chloride (1/1) |
| Molecular Weight: | 395.35 |
| Molecular Formula: | C16 H23 Cl N2 O3 S |
| Salt: | HCl |
| Smiles: | CS(N1C[C@H]2CCN(Cc3ccc(cc3)[Cl])C[C@]2(C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5035 |
| logD: | 0.8301 |
| logSw: | -2.2175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.456 |
| InChI Key: | IFOGDECPQPUTPJ-GOEBONIOSA-N |