الاسم: 2-[4-[(4-chlorophenyl)cyanomethyl]-3-methoxyphenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILES:
COc1cc(-n2nc(C#N)c(=O)[nH]c2=O)ccc1C(C#N)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C19H12ClN5O3
Molecular weight
393.79
Exact mass
393.0629
XLogP
2.11
TPSA
124.56
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
100.63
Supplementary Information
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