Nom: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-bromo-1,2-benzothiazole-3-carboxamide
SMILES:
C1CN2CCC1C(C2)NC(=O)C3=NSC4=C3C=C(C=C4)BrMolecular Processing
Molecular formula
C15H16BrN3OS
Molecular weight
366.28
Exact mass
365.0197
XLogP
2.88
TPSA
45.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
87.74
Supplementary Information
InChIKey: LMUPWJRROXDVJF-LBPRGKRZSA-N
Synonymes
SCHEMBL261137LMUPWJRROXDVJF-LBPRGKRZSA-NN-((3R)-1-azabicyclo[2.2.2]oct-3-yl)-5-(bromo)benzo[d]isothiazole-3-carboxamide
Impliqué dans 4 réactions→