Name: 3-(2,4-diphenylamino-pyrimidin-5-yl)-2-(4-methoxy-phenyl)-propionic acid methyl ester
SMILES:
COC(=O)C(Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1)c1ccc(OC)cc1Molecular Processing
Molecular formula
C27H26N4O3
Molecular weight
454.53
Exact mass
454.2005
XLogP
5.47
TPSA
85.37
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
132.94
Supplementary Information
Details werden geladen…
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