Name: 1-{[4-(methyloxy)phenyl]methyl}-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES:
COc1ccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1Molecular Processing
Molecular formula
C23H26BN3O5
Molecular weight
435.29
Exact mass
435.1966
XLogP
3.81
TPSA
88.65
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
122.13
Supplementary Information
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