Name: ethyl 2-[2-(1,1-dimethylethyl)pyrimidin-5-yl]-2-oxo-acetate
SMILES:
CCOC(=O)C(=O)c1cnc(C(C)(C)C)nc1Molecular Processing
Molecular formula
C12H16N2O3
Molecular weight
236.27
Exact mass
236.1161
XLogP
1.52
TPSA
69.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
61.7
Supplementary Information
Details werden geladen…
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