Nombre: 4-{[5-methoxy-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)pentyl]amino}benzoic acid
SMILES:
COCCCCC(Nc1ccc(C(=O)O)cc1)c1oc2ccc(OC)cc2c1CMolecular Processing
Molecular formula
C23H27NO5
Molecular weight
397.47
Exact mass
397.1889
XLogP
5.42
TPSA
80.93
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
113
Supplementary Information
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