الاسم: ethyl [2-[[4-[(4-chlorophenyl)cyanomethyl]-3-methoxyphenyl]hydrazono]-2-cyanoacetyl]carbamate
SMILES:
CCOC(=O)NC(=O)C(C#N)=NNc1ccc(C(C#N)c2ccc(Cl)cc2)c(OC)c1Molecular Processing
Molecular formula
C21H18ClN5O4
Molecular weight
439.86
Exact mass
439.1047
XLogP
3.57
TPSA
136.6
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
113.74
Supplementary Information
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