الاسم: (±)-N4-(2,6-dimethoxypyridin-3-yl)-N2-(2,3-dihydro-2-methoxycarbonylbenzofuran-5-yl)-5-fluoro-2,4-pyrimidinediamine
SMILES:
COC(=O)C1Cc2cc(Nc3ncc(F)c(Nc4ccc(OC)nc4OC)n3)ccc2O1Molecular Processing
Molecular formula
C21H20FN5O5
Molecular weight
441.42
Exact mass
441.1448
XLogP
2.99
TPSA
116.72
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
112.47
Supplementary Information
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