COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Nc4cccc(C(F)(F)F)c4)C3)CC2)cc1
SMILES: COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Nc4cccc(C(F)(F)F)c4)C3)CC2)cc1

Molecular Processing

Molecular formula
C27H24ClF3N4O3
Molecular weight
544.96
Exact mass
544.1489
XLogP
5.26
TPSA
83.56
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
136.47

Supplementary Information

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