Name: 4-(3,4-bis(benzyloxy)-5-nitrophenyl)-5-(2-(trifluoromethyl)pyridin-3-yl)-1,2,3-thiadiazole
SMILES:
O=[N+]([O-])c1cc(-c2nnsc2-c2cccnc2C(F)(F)F)cc(OCc2ccccc2)c1OCc1ccccc1Molecular Processing
Molecular formula
C28H19F3N4O4S
Molecular weight
564.55
Exact mass
564.1079
XLogP
7.35
TPSA
100.27
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
141.78
Supplementary Information
Details werden geladen…
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