SMILES:
O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2NCCO)cn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C22H20ClN5O3S
Molecular weight
469.95
Exact mass
469.0975
XLogP
3.07
TPSA
101.18
H-bond donors
3
H-bond acceptors
6
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
10
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
125.24
Supplementary Information
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