Название: 6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-amine bis(trifluoroacetate)
SMILES:
Nc1cc2cc(c1)Nc1nc(ncc1Cl)Nc1cccc(c1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C22H18ClF6N5O4
Molecular weight
565.86
Exact mass
565.0952
XLogP
5.56
TPSA
150.46
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
0
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
3
Fraction Csp3
0.182
Molar refractivity
125.69
Supplementary Information
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