SMILES:
Nc1c(Cl)cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCC3C(=O)O)CC2)cc1C(F)(F)FMolecular Processing
Molecular formula
C35H42ClF3N6O6
Molecular weight
735.2
Exact mass
734.2806
XLogP
5.08
TPSA
148.75
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
51
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.543
Molar refractivity
182.27
Supplementary Information
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