SMILES:
Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1CMolecular Processing
Molecular formula
C26H31ClN4O
Molecular weight
451.01
Exact mass
450.2186
XLogP
4.6
TPSA
40.51
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
132.64
Supplementary Information
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