SMILES:
CC1c2sc(Br)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1Molecular Processing
Molecular formula
C15H12Br2N4OS
Molecular weight
456.16
Exact mass
453.9099
XLogP
4.08
TPSA
50.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
95.86
Supplementary Information
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