SMILES:
O=C(NCc1cn(-c2ccc(-n3cccc(OCCO)c3=O)cc2)nn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C21H18ClN5O4S
Molecular weight
471.93
Exact mass
471.0768
XLogP
2.43
TPSA
111.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
120.04
Supplementary Information
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