SMILES:
CC(SC1COC(c2ccccc2)OC1)C(O)(Cn1cncn1)c1cc(F)ccc1FMolecular Processing
Molecular formula
C22H23F2N3O3S
Molecular weight
447.51
Exact mass
447.1428
XLogP
3.68
TPSA
69.4
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
112.2
Supplementary Information
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