Name: title compound ( D149 )
SMILES:
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(C(F)(F)F)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C27H23ClF3N3O4
Molecular weight
545.95
Exact mass
545.1329
XLogP
5.23
TPSA
80.76
H-bond donors
1
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
133.48
Supplementary Information
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