名称: (2S,3R)-3-Amino-2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]octane di-p-toluoyl-D-tartrate salt
SMILES:
Cc1ccc(C(=O)[C@@](O)(C(=O)O)[C@](O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1.N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1Molecular Processing
Molecular formula
C33H37N3O8
Molecular weight
603.67
Exact mass
603.2581
XLogP
2.05
TPSA
191.35
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
44
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
160.19
Supplementary Information
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