Name: 3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
SMILES:
COc1ccc(-c2sc3cc(OC)ccc3c2Oc2ccc(Br)cc2)cc1Molecular Processing
Molecular formula
C22H17BrO3S
Molecular weight
441.35
Exact mass
440.0082
XLogP
7.14
TPSA
27.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
114.58
Supplementary Information
Details werden geladen…
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