SMILES:
CCn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)NCCF)ccc21Molecular Processing
Molecular formula
C19H17ClFN5OS
Molecular weight
417.9
Exact mass
417.0826
XLogP
4.76
TPSA
71.84
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
111.63
Supplementary Information
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