O=C(Nc1ccc(C(=O)N2CCc3cncnc3-c3ccccc32)cc1)c1cc(Cl)ccc1Cl
SMILES: O=C(Nc1ccc(C(=O)N2CCc3cncnc3-c3ccccc32)cc1)c1cc(Cl)ccc1Cl

Molecular Processing

Molecular formula
C26H18Cl2N4O2
Molecular weight
489.36
Exact mass
488.0807
XLogP
5.91
TPSA
75.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
133.71

Supplementary Information

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