名称: [5-chloro-4-[(4-chlorophenylthio)(2,5-difluorophenyl)methyl]pyridin-2-yl]methanol
SMILES:
OCc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1Molecular Processing
Molecular formula
C19H13Cl2F2NOS
Molecular weight
412.29
Exact mass
411.0063
XLogP
6.04
TPSA
33.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
100.68
Supplementary Information
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