Nombre: 1-carbomethoxy-1-cyano-2-methylthio-2-{2-[(4-methyl-1H-imidazol-5-yl)methylthio]ethylamino}ethylene
SMILES:
COC(=O)C(C#N)=C(NCCSCc1[nH]cnc1C)SCMolecular Processing
Molecular formula
C13H18N4O2S2
Molecular weight
326.45
Exact mass
326.0871
XLogP
1.81
TPSA
90.8
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
85.66
Supplementary Information
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