名称: tert-butyl(3-(6-((6-((4-hydroxybenzyl)amino)-2-(2,2,2-trifluoroethoxyl)pyrimidin-4-yl)amino)nicotinamido)-2,2-dimethylpropyl)carbamate
SMILES:
CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(Nc2cc(NCc3ccc(O)cc3)nc(OCC(F)(F)F)n2)nc1Molecular Processing
Molecular formula
C29H36F3N7O5
Molecular weight
619.65
Exact mass
619.273
XLogP
5.15
TPSA
159.62
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
44
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
156.89
Supplementary Information
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