SMILES:
COc1ccc2nc(Nc3ccc(-c4ccc(C(=O)[C@@H]5CCC[C@H]5C(=O)O)cc4)cc3F)sc2c1Molecular Processing
Molecular formula
C27H23FN2O4S
Molecular weight
490.56
Exact mass
490.1363
XLogP
6.54
TPSA
88.52
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
134.09
Supplementary Information
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