Name: 1-(3-bromophenyl)-1-(2-methoxypyridin-4-yl)-1H-isoindol-3-amine
SMILES:
COc1cc(C2(c3cccc(Br)c3)N=C(N)c3ccccc32)ccn1Molecular Processing
Molecular formula
C20H16BrN3O
Molecular weight
394.27
Exact mass
393.0477
XLogP
3.86
TPSA
60.5
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
101.98
Supplementary Information
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