名称: (RS)-1-{(4-chlorophenyl)-(4-formylphenyl)methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine
SMILES:
CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(C=O)cc2)C1)c1cc(F)cc(F)c1Molecular Processing
Molecular formula
C25H20ClF2NO3S
Molecular weight
487.96
Exact mass
487.082
XLogP
5.29
TPSA
54.45
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
124.82
Supplementary Information
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