Name: 3-(4-(azidomethyl)phenyl)-1-(4-(perfluoroethoxy)phenyl)-1H-1,2,4-triazole
SMILES:
[N-]=[N+]=NCc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1Molecular Processing
Molecular formula
C17H11F5N6O
Molecular weight
410.31
Exact mass
410.0915
XLogP
5.28
TPSA
88.7
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
91.27
Supplementary Information
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