SMILES:
Cl.Cl.O=c1c2ccccc2n(CCCCSc2ccncc2)c(=S)n1CCCCSc1ccncc1Molecular Processing
Molecular formula
C26H30Cl2N4OS3
Molecular weight
581.66
Exact mass
580.0959
XLogP
7.31
TPSA
52.71
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.308
Molar refractivity
159.92
Supplementary Information
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