Name: 4-{[2-ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}benzoic acid
SMILES:
CCC(CC)C(Nc1ccc(C(=O)O)cc1)c1oc2ccc(OC)cc2c1CMolecular Processing
Molecular formula
C23H27NO4
Molecular weight
381.47
Exact mass
381.194
XLogP
6.04
TPSA
71.7
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
111.34
Supplementary Information
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