Name: 3-[1-(3,3-Dimethoxy-propyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-pyridine-2-carbonitrile
SMILES:
COC(CCn1cc(-c2cccnc2C#N)c(=O)[nH]c1=O)OCMolecular Processing
Molecular formula
C15H16N4O4
Molecular weight
316.32
Exact mass
316.1172
XLogP
0.48
TPSA
110
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
81.69
Supplementary Information
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