الاسم: [2-(4-cyanophenylimino)-2-(4-fluoro-7-methoxy-2,3-dihydrobenzofuran-5-yl)-1-methylsulfanylethylidene]carbamic acid methyl ester
SMILES:
COC(=O)N=C(SC)C(=Nc1ccc(C#N)cc1)c1cc(OC)c2c(c1F)CCO2Molecular Processing
Molecular formula
C21H18FN3O4S
Molecular weight
427.46
Exact mass
427.1002
XLogP
4.29
TPSA
93.27
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
112.86
Supplementary Information
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