Name: 3-oxo-3-(2-phenyl-pyrimidin-4-yl)-propionic acid ethyl ester
SMILES:
CCOC(=O)CC(=O)c1ccnc(-c2ccccc2)n1Molecular Processing
Molecular formula
C15H14N2O3
Molecular weight
270.29
Exact mass
270.1004
XLogP
2.28
TPSA
69.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
73.05
Supplementary Information
Details werden geladen…
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