Name: 4-nitrophenyl(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)carbamate
SMILES:
O=C([O-])N(c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C22H13F3N5O5-
Molecular weight
484.37
Exact mass
484.0874
XLogP
4.22
TPSA
126.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
114.11
Supplementary Information
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