Name: 3-Cyano-1-ethyl-4-methyl-5-[4-(N-ethyl-N-hydroxyethylamino)phenylimino]-pyridine-2,6-dione
SMILES:
CCN1C(=O)C(=Nc2ccc(N(CC)CCO)cc2)C(C)=C(C#N)C1=OMolecular Processing
Molecular formula
C19H22N4O3
Molecular weight
354.41
Exact mass
354.1692
XLogP
1.81
TPSA
97
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
99.22
Supplementary Information
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