(3,4-dimethylphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(3,4-dimethylphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone--hydrogen chloride (1/1)
(3,4-dimethylphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S858-3504 |
| Compound Name: | (3,4-dimethylphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 366.93 |
| Molecular Formula: | C20 H30 N2 O2 |
| Salt: | HCl |
| Smiles: | CC(C)N1CC[C@H]2CN(C[C@]2(C1)CO)C(c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4911 |
| logD: | -0.7826 |
| logSw: | -2.4842 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.953 |
| InChI Key: | GAPUIAKGDBTOFY-AZUAARDMSA-N |