SMILES:
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4Br)cc3F)c2cc1OCMolecular Processing
Molecular formula
C25H19BrFN3O4S
Molecular weight
556.41
Exact mass
555.0264
XLogP
6.07
TPSA
81.71
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.08
Molar refractivity
139.15
Supplementary Information
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