الاسم: 3-(5-bromobenzo[b]thien-2-yl)-2-(4-methoxyphenyl)propyl methanesulfonate
SMILES:
COc1ccc(C(COS(C)(=O)=O)Cc2cc3cc(Br)ccc3s2)cc1Molecular Processing
Molecular formula
C19H19BrO4S2
Molecular weight
455.4
Exact mass
453.9908
XLogP
4.97
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
109.76
Supplementary Information
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