SMILES:
O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2N2CCSCC2)cn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C24H22ClN5O2S2
Molecular weight
512.06
Exact mass
511.0903
XLogP
4.22
TPSA
72.16
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
139.2
Supplementary Information
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