SMILES:
COc1ccc(-c2cc(C(=O)NCc3ccccn3)c(=O)n(CC3CC3)n2)cc1Molecular Processing
Molecular formula
C22H22N4O3
Molecular weight
390.44
Exact mass
390.1692
XLogP
2.65
TPSA
86.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.62
Supplementary Information
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