Name: 3-(2,4-diphenylamino-pyrimidin-5-yl)-2-pyridin-3-yl-propionic acid ethyl ester
SMILES:
CCOC(=O)C(Cc1cnc(Nc2ccccc2)nc1Nc1ccccc1)c1cccnc1Molecular Processing
Molecular formula
C26H25N5O2
Molecular weight
439.52
Exact mass
439.2008
XLogP
5.25
TPSA
89.03
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
33
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
0.154
Molar refractivity
128.8
Supplementary Information
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