CCOC(=O)C1(C)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
Nombre: ethyl 4-methyl-1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carboxylate
SMILES: CCOC(=O)C1(C)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

Molecular Processing

Molecular formula
C19H30BN3O4
Molecular weight
375.28
Exact mass
375.2329
XLogP
1.95
TPSA
73.78
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
103.94

Supplementary Information

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