SMILES:
CC(SC1COC(C=Cc2ccc(C(F)(F)F)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1FMolecular Processing
Molecular formula
C25H24F5N3O3S
Molecular weight
541.54
Exact mass
541.1459
XLogP
5.04
TPSA
69.4
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
127.29
Supplementary Information
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