이름: 2-(4-((4-((2,4,6-trifluorobenzyl)amino)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)acetic acid
SMILES:
O=C(O)Cn1cc(Nc2nccc(NCc3c(F)cc(F)cc3F)n2)cn1Molecular Processing
Molecular formula
C16H13F3N6O2
Molecular weight
378.31
Exact mass
378.1052
XLogP
2.53
TPSA
104.96
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
88.82
Supplementary Information
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