이름: N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide
SMILES:
COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(C)(=O)=OMolecular Processing
Molecular formula
C13H21BN2O5S
Molecular weight
328.2
Exact mass
328.1264
XLogP
0.76
TPSA
86.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
84.97
Supplementary Information
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