Name: (4-Methyl-piperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone
SMILES:
CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1Molecular Processing
Molecular formula
C18H27BN2O3
Molecular weight
330.24
Exact mass
330.2115
XLogP
1.37
TPSA
42.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
95.56
Supplementary Information
Details werden geladen…
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