Name: ethyl 2-bromo-4-{[(3-chlorophenyl)sulfonyl]amino}-3,6-dimethylthieno[2,3-b]pyridine-5-carboxylate
SMILES:
CCOC(=O)c1c(C)nc2sc(Br)c(C)c2c1NS(=O)(=O)c1cccc(Cl)c1Molecular Processing
Molecular formula
C18H16BrClN2O4S2
Molecular weight
503.83
Exact mass
501.9423
XLogP
5.31
TPSA
85.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
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
0.222
Molar refractivity
115.01
Supplementary Information
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