Название: ethyl 2-(2-amino-4-methylanilino)benzo[b]thiophene-3-carboxylate
SMILES:
CCOC(=O)c1c(Nc2ccc(C)cc2N)sc2ccccc12Molecular Processing
Molecular formula
C18H18N2O2S
Molecular weight
326.42
Exact mass
326.1089
XLogP
4.71
TPSA
64.35
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
96.66
Supplementary Information
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