rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0729 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 358.52 |
| Molecular Formula: | C16 H26 N2 O3 S2 |
| Smiles: | Cc1ccc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8354 |
| logD: | 0.0282 |
| logSw: | -2.3093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.783 |
| InChI Key: | FMVCZQBOILRALG-GDBMZVCRSA-N |