Name: 3-(2-Methylsulfanyl-pyrimidin-4-yl)-3-oxo-2-ortho-tolyloxy-propionic acid methyl ester
SMILES:
COC(=O)C(Oc1ccccc1C)C(=O)c1ccnc(SC)n1Molecular Processing
Molecular formula
C16H16N2O4S
Molecular weight
332.38
Exact mass
332.0831
XLogP
2.31
TPSA
78.38
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.75
Supplementary Information
Details werden geladen…
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