الاسم: (±)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide
SMILES:
COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(Br)c3)nc12Molecular Processing
Molecular formula
C18H16BrN3O4S
Molecular weight
450.31
Exact mass
449.0045
XLogP
3.8
TPSA
82.57
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
105.57
Supplementary Information
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