SMILES:
Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCSc3nc4cccc(C(F)(F)F)c4o3)CC2)c(N2CCOCC2)n1Molecular Processing
Molecular formula
C30H38F3N7O4S
Molecular weight
649.74
Exact mass
649.2658
XLogP
3.57
TPSA
99.44
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
45
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.567
Molar refractivity
166.28
Supplementary Information
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