Name: 4-(3,4-bis(benzyloxy)-5-nitrophenyl)-2-(2-(trifluoromethyl)pyridin-3-yl)thiazole
SMILES:
O=[N+]([O-])c1cc(-c2csc(-c3cccnc3C(F)(F)F)n2)cc(OCc2ccccc2)c1OCc1ccccc1Molecular Processing
Molecular formula
C29H20F3N3O4S
Molecular weight
563.56
Exact mass
563.1127
XLogP
7.96
TPSA
87.38
H-bond donors
0
H-bond acceptors
7
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
11
Covalent units
1
Fraction Csp3
0.103
Molar refractivity
143.99
Supplementary Information
Details werden geladen…
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