Name: 2-benzyl-6-(cis-3,4-dimethoxypyrrolidine-1-yl)-3-iodopyridine
SMILES:
CO[C@H]1CN(c2ccc(I)c(Cc3ccccc3)n2)C[C@H]1OCMolecular Processing
Molecular formula
C18H21IN2O2
Molecular weight
424.28
Exact mass
424.0648
XLogP
3.13
TPSA
34.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
100.01
Supplementary Information
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