Name: N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-bromo-1-benzothiophene-2-carboxamide hydrochloride
SMILES:
Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(Br)ccc2s1Molecular Processing
Molecular formula
C16H18BrClN2OS
Molecular weight
401.76
Exact mass
400.0012
XLogP
3.91
TPSA
32.34
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
97.19
Supplementary Information
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