Name: ethyl 2-bromo-4-{[(3-chlorophenyl)sulfonyl]amino}-6-methylthieno[2,3-b]pyridine-5-carboxylate
SMILES:
CCOC(=O)c1c(C)nc2sc(Br)cc2c1NS(=O)(=O)c1cccc(Cl)c1Molecular Processing
Molecular formula
C17H14BrClN2O4S2
Molecular weight
489.8
Exact mass
487.9267
XLogP
5
TPSA
85.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
110.27
Supplementary Information
Details werden geladen…
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