SMILES:
CCOC(=O)CS(=O)(=NC(=O)c1cncc(C#Cc2cccc(O)c2)c1)c1ccccc1Molecular Processing
Molecular formula
C24H20N2O5S
Molecular weight
448.5
Exact mass
448.1093
XLogP
3.42
TPSA
105.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
119.43
Supplementary Information
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