SMILES:
O=C(CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1)Nc1ccc(-c2ccsc2)cc1Molecular Processing
Molecular formula
C24H22BrN3O3S
Molecular weight
512.43
Exact mass
511.0565
XLogP
4.49
TPSA
69.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
129.63
Supplementary Information
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