名称: N′-[(1E)-(3-{[4-(difluoromethoxy)phenyl]ethynyl}phenyl)methylene]-4-methylbenzenesulfonohydrazide
SMILES:
Cc1ccc(S(=O)(=O)N/N=C/c2cccc(C#Cc3ccc(OC(F)F)cc3)c2)cc1Molecular Processing
Molecular formula
C23H18F2N2O3S
Molecular weight
440.47
Exact mass
440.1006
XLogP
4.31
TPSA
67.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
114.59
Supplementary Information
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