SMILES:
CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(SC)cc1Molecular Processing
Molecular formula
C27H32F3N5O4S
Molecular weight
579.65
Exact mass
579.2127
XLogP
4.16
TPSA
128.43
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
146.35
Supplementary Information
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