SMILES:
COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=S)N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C27H33F2N3O4S
Molecular weight
533.64
Exact mass
533.216
XLogP
5.93
TPSA
84.61
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
144.9
Supplementary Information
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