SMILES:
COc1cc(Nc2nc3c(s2)CC(=O)CC3c2ccc(F)cc2)ccc1-n1cnc(Cl)c1Molecular Processing
Molecular formula
C23H18ClFN4O2S
Molecular weight
468.94
Exact mass
468.0823
XLogP
5.52
TPSA
69.04
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
122.09
Supplementary Information
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