Name: 2-chloro-5-fluoro-N4-(3-methyloxycarbonyl-4-methoxyphenyl)-4-pyrimidineamine
SMILES:
COC(=O)c1cc(Nc2nc(Cl)ncc2F)ccc1OCMolecular Processing
Molecular formula
C13H11ClFN3O3
Molecular weight
311.7
Exact mass
311.0473
XLogP
2.81
TPSA
73.34
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
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
0.154
Molar refractivity
74.62
Supplementary Information
Details werden geladen…
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