SMILES:
CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(C(=O)Nc3ccc(Br)cc3)cc2N)cc1Molecular Processing
Molecular formula
C24H24BrN3O3S
Molecular weight
514.45
Exact mass
513.0722
XLogP
6.78
TPSA
93.45
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
133.37
Supplementary Information
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