Nombre: ethyl 6-methoxy-2-(2-nitroanilino)benzo[b]thiophene-3-carboxylate
SMILES:
CCOC(=O)c1c(Nc2ccccc2[N+](=O)[O-])sc2cc(OC)ccc12Molecular Processing
Molecular formula
C18H16N2O5S
Molecular weight
372.4
Exact mass
372.078
XLogP
4.74
TPSA
90.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
26
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
0.167
Molar refractivity
100.71
Supplementary Information
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