SMILES:
CCOC(=O)C1CCN(c2nc(NCc3ccc(OC)c(Cl)c3)c3cc(C#N)ccc3n2)CC1Molecular Processing
Molecular formula
C25H26ClN5O3
Molecular weight
479.97
Exact mass
479.1724
XLogP
4.56
TPSA
100.37
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
131.15
Supplementary Information
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