SMILES:
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)CCSC)cc3F)c2cc1OCMolecular Processing
Molecular formula
C22H22FN3O4S2
Molecular weight
475.57
Exact mass
475.1036
XLogP
4.75
TPSA
81.71
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
128.68
Supplementary Information
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