1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0834 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one |
| Molecular Weight: | 322.47 |
| Molecular Formula: | C17 H26 N2 O2 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8697 |
| logD: | 0.5857 |
| logSw: | -2.2273 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.6957 |
| InChI Key: | PGCGMABAPGXOGB-DOTOQJQBSA-N |