Nombre: Compound 18
SMILES:
CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(Br)c2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C26H31BrF2N2O4
Molecular weight
553.44
Exact mass
552.1435
XLogP
3.94
TPSA
79.82
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
130.6
Supplementary Information
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