COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(Oc4cccc(C(F)(F)F)c4)C3)CC2)cc1
SMILES: COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(Oc4cccc(C(F)(F)F)c4)C3)CC2)cc1

Molecular Processing

Molecular formula
C28H25ClF3N3O4
Molecular weight
559.97
Exact mass
559.1486
XLogP
5.62
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
138.1

Supplementary Information

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