SMILES:
Cc1nc(-n2ccc(OCc3c(C)noc3C)cc2=O)sc1C(=O)NCc1ccccc1Molecular Processing
Molecular formula
C23H22N4O4S
Molecular weight
450.52
Exact mass
450.1362
XLogP
3.72
TPSA
99.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
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
0.217
Molar refractivity
120.37
Supplementary Information
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