Name: 2-(4-Cyanophenylamino)-2-(7-ethyl-3-methylbenzofuran-5-yl)acetic acid
SMILES:
CCc1cc(C(Nc2ccc(C#N)cc2)C(=O)O)cc2c(C)coc12Molecular Processing
Molecular formula
C20H18N2O3
Molecular weight
334.38
Exact mass
334.1317
XLogP
4.41
TPSA
86.26
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
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
0.2
Molar refractivity
95.49
Supplementary Information
Details werden geladen…
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