Name: 3-(2-chloro-4-phenylamino-pyrimidin-5-yl)-2-(4-methoxy-phenyl)-propionic acid methyl ester
SMILES:
COC(=O)C(Cc1cnc(Cl)nc1Nc1ccccc1)c1ccc(OC)cc1Molecular Processing
Molecular formula
C21H20ClN3O3
Molecular weight
397.86
Exact mass
397.1193
XLogP
4.38
TPSA
73.34
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
108.22
Supplementary Information
Details werden geladen…
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