Name: N-(diphenylmethylidene)-3-[1-(4-methoxybenzyl)-4-(1-oxidopyridin-4-yl)-1H-pyrazol-3-yl]aniline
SMILES:
COc1ccc(Cn2cc(-c3cc[n+]([O-])cc3)c(-c3cccc(N=C(c4ccccc4)c4ccccc4)c3)n2)cc1Molecular Processing
Molecular formula
C35H28N4O2
Molecular weight
536.64
Exact mass
536.2212
XLogP
7.08
TPSA
66.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.057
Molar refractivity
162.34
Supplementary Information
Details werden geladen…
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