COc1ccc(Br)nc1N1CCN(C(=O)OC(C)(C)C)CC(O)C1
Nombre: tert-butyl 4-(6-bromo-3-methoxy-2-pyridyl)-6-hydroxy-1,4-diazepane-1-carboxylate
SMILES: COc1ccc(Br)nc1N1CCN(C(=O)OC(C)(C)C)CC(O)C1

Molecular Processing

Molecular formula
C16H24BrN3O4
Molecular weight
402.29
Exact mass
401.095
XLogP
2.27
TPSA
75.13
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
94.52

Supplementary Information

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