SMILES:
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCN(C(=O)C2CCCN2C)C1Molecular Processing
Molecular formula
C26H29ClFN5O3
Molecular weight
514
Exact mass
513.1943
XLogP
4.64
TPSA
79.82
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
136.66
Supplementary Information
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