الاسم: (±)-N4-(3,4-difluorophenyl)-N2-(2,3-dihydro-2-methoxycarbonylbenzofuran-5-yl)-5-fluoro-2,4-pyrimidinediamine
SMILES:
COC(=O)C1Cc2cc(Nc3ncc(F)c(Nc4ccc(F)c(F)c4)n3)ccc2O1Molecular Processing
Molecular formula
C20H15F3N4O3
Molecular weight
416.36
Exact mass
416.1096
XLogP
3.86
TPSA
85.37
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
101.49
Supplementary Information
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