SMILES:
O=c1c2ccccc2n(CSc2ccncc2)c(=O)n1CCCCSc1ccncc1Molecular Processing
Molecular formula
C23H22N4O2S2
Molecular weight
450.59
Exact mass
450.1184
XLogP
4.28
TPSA
69.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
126.76
Supplementary Information
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