1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one--hydrogen chloride (1/1)
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S996-0724 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 382.93 |
| Molecular Formula: | C20 H30 N2 O3 |
| Salt: | HCl |
| Smiles: | CC(C)N1CC[C@@H]2CN(C[C@@]2(C1)CO)C(Cc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0009 |
| logD: | -1.3309 |
| logSw: | -2.2662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | VTPXJVGHRZUCNL-XLIONFOSSA-N |