이름: 1,1-dimethylethyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-1-piperazinecarboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1Molecular Processing
Molecular formula
C19H31BN4O4
Molecular weight
390.29
Exact mass
390.2438
XLogP
1.83
TPSA
77.02
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
107.77
Supplementary Information
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