名称: tert-butyl 4-(4-((4-(2-(1-(methoxycarbonyl)cyclopropyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
SMILES:
COC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)ncc2C(F)(F)F)CC1Molecular Processing
Molecular formula
C34H39F3N4O4
Molecular weight
624.7
Exact mass
624.2923
XLogP
7.34
TPSA
93.65
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
163.32
Supplementary Information
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