Name: 6′-bromo-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-[3,3′]bipyridinyl-6-yl-bis-(tert-butoxycarbonyl)-amine
SMILES:
CC(Oc1cc(-c2ccc(Br)nc2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1c(Cl)ccc(F)c1ClMolecular Processing
Molecular formula
C28H29BrCl2FN3O5
Molecular weight
657.36
Exact mass
655.0652
XLogP
9.17
TPSA
90.85
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
155.58
Supplementary Information
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