이름: 5-amino-6-bromo-3′,4′,5′,6′-tetrahydro-2′H-[2,4′]bipyridinyl-1′-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc(N)c(Br)n2)CC1Molecular Processing
Molecular formula
C15H22BrN3O2
Molecular weight
356.26
Exact mass
355.0895
XLogP
3.54
TPSA
68.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
86.13
Supplementary Information
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