SMILES:
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc4cccc(N)c4c3)cc21Molecular Processing
Molecular formula
C29H24N4O4S
Molecular weight
524.6
Exact mass
524.1518
XLogP
5.57
TPSA
108.47
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.138
Molar refractivity
148.54
Supplementary Information
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