SMILES:
Cc1c(-c2nnc(C3CCC3)s2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C22H17Cl3N4S
Molecular weight
475.83
Exact mass
474.024
XLogP
7.59
TPSA
43.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
124.26
Supplementary Information
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