SMILES:
Cc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3ccn(C)n3)cc2s1Molecular Processing
Molecular formula
C21H19N3O4S2
Molecular weight
441.53
Exact mass
441.0817
XLogP
4.39
TPSA
90.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
117.35
Supplementary Information
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