SMILES:
CCN1CCN(c2cccc(NC(=O)c3ccc(-c4cc(OC)ccc4Cl)c4nccnc34)c2)CC1Molecular Processing
Molecular formula
C28H28ClN5O2
Molecular weight
502.02
Exact mass
501.1932
XLogP
5.35
TPSA
70.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
145.26
Supplementary Information
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