SMILES:
O=C(N[C@@H]1CCCN2c3cc(Cl)c(NS(=O)(=O)c4ccccc4)cc3Oc3ccccc3[C@H]12)C(F)(F)FMolecular Processing
Molecular formula
C25H21ClF3N3O4S
Molecular weight
551.97
Exact mass
551.0893
XLogP
5.64
TPSA
87.74
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
132.53
Supplementary Information
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