SMILES:
NC1=c2ccsc2=NCN1c1ccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc1Molecular Processing
Molecular formula
C22H18Cl2N4OS
Molecular weight
457.39
Exact mass
456.0578
XLogP
3.85
TPSA
70.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
122.49
Supplementary Information
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