Name: methyl 4-{[2-(1-{4-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}ethylidene)hydrazino]carbonyl}benzoate
SMILES:
COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3cccc(C(F)(F)F)c3)c2O)cc1Molecular Processing
Molecular formula
C22H19F3N4O4
Molecular weight
460.41
Exact mass
460.1358
XLogP
3.75
TPSA
105.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
112.77
Supplementary Information
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