Nom: 4-{3-[4-Methoxy-2-(2-morpholin-4-yl-ethoxy)-5-thiophen-2-yl-phenyl]-acryloyl}-benzenesulfonamide
SMILES:
COc1cc(OCCN2CCOCC2)c(C=CC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1cccs1Molecular Processing
Molecular formula
C26H28N2O6S2
Molecular weight
528.65
Exact mass
528.1389
XLogP
3.68
TPSA
108.16
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
140.24
Supplementary Information
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