Nombre: 2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro-thiobenzimidic acid ethyl ester
SMILES:
CCSC(=N)c1cccc(Cl)c1CCc1cc(Br)ccc1OCMolecular Processing
Molecular formula
C18H19BrClNOS
Molecular weight
412.78
Exact mass
411.0059
XLogP
5.97
TPSA
33.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
104.51
Supplementary Information
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