SMILES:
Cc1cccc2nc(SCc3ccc(C(=O)c4ccc(C(=O)O)cc4)cc3)n(C)c(=O)c12Molecular Processing
Molecular formula
C25H20N2O4S
Molecular weight
444.51
Exact mass
444.1144
XLogP
4.46
TPSA
89.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
124.56
Supplementary Information
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