名称: 19-bromo-6-chloro-14-oxa-2,4,8,23-tetraazatetracyclo[15.3.1.1(3,7).1(9,13)]tricosa-1(21),3(23),4,6,9(22),10,12,17,19-nonaene trifluoroacetate
SMILES:
Clc1cnc2nc1Nc1cccc(c1)OCCc1cc(Br)cc(c1)N2.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C20H15BrClF3N4O3
Molecular weight
531.72
Exact mass
529.9968
XLogP
5.95
TPSA
96.37
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.15
Molar refractivity
117.08
Supplementary Information
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