SMILES:
COC1(c2cc(F)cc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCN(CC(F)F)C1Molecular Processing
Molecular formula
C23H25F3N2O2S
Molecular weight
450.53
Exact mass
450.1589
XLogP
4.7
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
114.44
Supplementary Information
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