C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C=C(C=C4)N.Cl
Name: 6-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILES: C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C=C(C=C4)N.Cl

Molecular Processing

Molecular formula
C16H20ClN3OS
Molecular weight
337.88
Exact mass
337.1016
XLogP
2.73
TPSA
58.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
93.9

Supplementary Information

InChIKey: ZZEKZCUWYYNDLW-ZOWNYOTGSA-N
Synonyme
SCHEMBL2897520ZZEKZCUWYYNDLW-ZOWNYOTGSA-NN-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-amino-1-benzothiophene-2-carboxamide hydrochlorideN-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-amino-1-benzo-thiophene-2-carboxamide hydrochloride
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