Cc1c(C(=O)Nc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1
SMILES: Cc1c(C(=O)Nc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C28H24Cl2N6O
Molecular weight
531.45
Exact mass
530.1389
XLogP
5.94
TPSA
77.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
148.3

Supplementary Information

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