Name: 2-(4-fluorophenyl)-3-(2-methylsulfanyl-pyrimidin-4-yl)-3-oxo-propionic acid methyl ester
SMILES:
COC(=O)C(C(=O)c1ccnc(SC)n1)c1ccc(F)cc1Molecular Processing
Molecular formula
C15H13FN2O3S
Molecular weight
320.35
Exact mass
320.0631
XLogP
2.48
TPSA
69.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
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
0.2
Molar refractivity
79.3
Supplementary Information
Details werden geladen…
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