Name: 2-(4-(1-(4-(perfluoroethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)acetyl azide
SMILES:
[N-]=[N+]=NC(=O)Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1Molecular Processing
Molecular formula
C18H11F5N6O2
Molecular weight
438.32
Exact mass
438.0864
XLogP
4.85
TPSA
105.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
96.28
Supplementary Information
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