名称: Methyl 4-{[(2-{1-[5-(4-t-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)-carbonothioyl]amino}-2-nitrobenzoate
SMILES:
COC(=O)c1ccc(NC(=S)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C25H28N6O5S
Molecular weight
524.6
Exact mass
524.1842
XLogP
4.5
TPSA
143.91
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
145.01
Supplementary Information
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