SMILES:
Nc1c(Cl)cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(CC(=O)O)CC3)CC2)cc1C(F)(F)FMolecular Processing
Molecular formula
C37H46ClF3N6O6
Molecular weight
763.26
Exact mass
762.3119
XLogP
5.58
TPSA
148.75
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
53
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.568
Molar refractivity
191.41
Supplementary Information
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