N-{2-[rel-(5aR,8aR)-7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide--hydrogen chloride (1/1)
N-{2-[rel-(5aR,8aR)-7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SD16-0750 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 418.97 |
| Molecular Formula: | C21 H30 N6 O |
| Salt: | HCl |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(Cc3cc(C)nn3C)C[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6798 |
| logD: | -0.2165 |
| logSw: | -1.8505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.354 |
| InChI Key: | CYCVPPNMMNKBJB-XLIONFOSSA-N |