Name: 1-(pyridin-3-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
SMILES:
CC1(C)OB(c2ccc(NC(=O)Nc3cccnc3)cc2)OC1(C)CMolecular Processing
Molecular formula
C18H22BN3O3
Molecular weight
339.2
Exact mass
339.1754
XLogP
3.02
TPSA
72.48
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
99.04
Supplementary Information
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