SMILES:
CC(Nc1ncnc2cc(C(=O)N3CCC[C@H]3CNc3ccccc3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1Molecular Processing
Molecular formula
C29H27Cl2N7O
Molecular weight
560.49
Exact mass
559.1654
XLogP
6.7
TPSA
98.83
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
39
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
156.68
Supplementary Information
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