[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methylthiophen-2-yl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methylthiophen-2-yl)methanone--hydrogen chloride (1/1)
[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methylthiophen-2-yl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S996-0726 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methylthiophen-2-yl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 358.93 |
| Molecular Formula: | C17 H26 N2 O2 S |
| Salt: | HCl |
| Smiles: | CC(C)N1CC[C@@H]2CN(C[C@@]2(C1)CO)C(c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0915 |
| logD: | -1.1822 |
| logSw: | -2.3855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.971 |
| InChI Key: | JNGQXEUORPNPAR-WMLDXEAASA-N |