Название: 4-methyl-N-(3-morpholin-4-yl-phenyl)-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
SMILES:
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1B1OC(C)(C)C(C)(C)O1Molecular Processing
Molecular formula
C24H31BN2O4
Molecular weight
422.33
Exact mass
422.2377
XLogP
3.38
TPSA
60.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
124.32
Supplementary Information
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