Название: 2-(4-Methoxymethoxy-thianthren-1-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
SMILES:
COCOc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1Sc1ccccc1S2Molecular Processing
Molecular formula
C20H23BO4S2
Molecular weight
402.35
Exact mass
402.1131
XLogP
4.58
TPSA
36.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
109.35
Supplementary Information
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