名称: tert-butyl 4-(4-((4-((2-(1-amino-1-oxobutan-2-yl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
SMILES:
CCC(C(N)=O)c1ccccc1C#Cc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)FMolecular Processing
Molecular formula
C33H36F3N5O3
Molecular weight
607.68
Exact mass
607.277
XLogP
6.73
TPSA
110.44
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
161.19
Supplementary Information
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