Name: 3-(2,4-dichloro-pyrimidin-5-yl)-2-(4-methoxy-phenyl)-propionic acid methyl ester
SMILES:
COC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccc(OC)cc1Molecular Processing
Molecular formula
C15H14Cl2N2O3
Molecular weight
341.19
Exact mass
340.0381
XLogP
3.29
TPSA
61.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
83.51
Supplementary Information
Details werden geladen…
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