名称: tert-butyl (3-(6-((6-((4-((2-(chloromethyl)allyl)oxy)benzyl)amino)-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl)amino)nicotinamido)-2,2-dimethylpropyl)carbamate
SMILES:
C=C(CCl)COc1ccc(CNc2cc(Nc3ccc(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)cn3)nc(OCC(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C33H41ClF3N7O5
Molecular weight
708.18
Exact mass
707.281
XLogP
6.62
TPSA
148.62
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
49
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.424
Molar refractivity
180.58
Supplementary Information
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