SMILES:
CC(Nc1ncnc2cc(C(=O)N3CCC[C@H]3C(c3ccccc3)c3ccccc3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1Molecular Processing
Molecular formula
C35H30Cl2N6O
Molecular weight
621.57
Exact mass
620.1858
XLogP
8.42
TPSA
86.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
44
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
176.47
Supplementary Information
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