SMILES:
CC(C)(O)COCc1cccc(Nc2sc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)cc2C(N)=O)n1Molecular Processing
Molecular formula
C25H30N4O5S2
Molecular weight
530.67
Exact mass
530.1658
XLogP
3.17
TPSA
134.85
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
142.61
Supplementary Information
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