SMILES:
O=C(O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21Molecular Processing
Molecular formula
C28H20FN3O3S
Molecular weight
497.55
Exact mass
497.1209
XLogP
5.75
TPSA
77.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
136.5
Supplementary Information
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