Name: 2-chloro-N-(4-hydroxy-cyclohexyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonamide
SMILES:
CC1(C)OB(c2ccc(Cl)c(S(=O)(=O)NC3CCC(O)CC3)c2)OC1(C)CMolecular Processing
Molecular formula
C18H27BClNO5S
Molecular weight
415.75
Exact mass
415.1392
XLogP
2.22
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
105.75
Supplementary Information
Details werden geladen…
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