SMILES:
Cc1nc(CNC(=O)c2sc(-n3ccc(OCc4ccccc4)cc3=O)nc2C)cs1Molecular Processing
Molecular formula
C22H20N4O3S2
Molecular weight
452.56
Exact mass
452.0977
XLogP
3.88
TPSA
86.11
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
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
0.182
Molar refractivity
121.24
Supplementary Information
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