SMILES:
O=C(Nc1nc2cc(Cl)ccc2o1)N1CCN(c2nc(-c3ccccc3)ns2)CC1Molecular Processing
Molecular formula
C20H17ClN6O2S
Molecular weight
440.92
Exact mass
440.0822
XLogP
4.35
TPSA
87.39
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
117.17
Supplementary Information
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