SMILES:
Cc1cnc(NC(=O)C(=NOC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)s1Molecular Processing
Molecular formula
C18H20ClN3O4S2
Molecular weight
441.96
Exact mass
441.0584
XLogP
3.81
TPSA
97.72
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
109.92
Supplementary Information
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