Name: 1-(4-(4-methylpiperazin-1-yl)phenyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
SMILES:
CN1CCN(c2ccc(NC(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)CC1Molecular Processing
Molecular formula
C24H33BN4O3
Molecular weight
436.37
Exact mass
436.2646
XLogP
3.38
TPSA
66.07
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
130.95
Supplementary Information
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