SMILES:
COc1cccn(-c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)nn3)cc2)c1=OMolecular Processing
Molecular formula
C20H16ClN5O3S
Molecular weight
441.9
Exact mass
441.0662
XLogP
3.07
TPSA
91.04
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
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
0.1
Molar refractivity
114.01
Supplementary Information
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