SMILES:
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4ccc(F)c(F)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C26H22ClF2N3O4
Molecular weight
513.93
Exact mass
513.1267
XLogP
4.49
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
128.39
Supplementary Information
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