CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1
SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1

Molecular Processing

Molecular formula
C53H60F3N5O8S
Molecular weight
984.15
Exact mass
983.4115
XLogP
9.74
TPSA
157.42
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
23
Heavy atoms
70
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.377
Molar refractivity
264

Supplementary Information

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