Name: tert-butoxycarbonylamino-acetic acid 4-[2-amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzyl ester
SMILES:
CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(COC(=O)CNC(=O)OC(C)(C)C)cc2)nc(N)n1Molecular Processing
Molecular formula
C26H30ClN5O5
Molecular weight
528.01
Exact mass
527.1935
XLogP
5.09
TPSA
137.69
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
37
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
0.308
Molar refractivity
141.82
Supplementary Information
Details werden geladen…
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