Name: 3-[2-(3-methyl-isoxazol-5-yl)-pyridin-4-yl]-3-oxo-propionic acid tert.-butyl ester
SMILES:
Cc1cc(-c2cc(C(=O)CC(=O)OC(C)(C)C)ccn2)on1Molecular Processing
Molecular formula
C16H18N2O4
Molecular weight
302.33
Exact mass
302.1267
XLogP
2.96
TPSA
82.29
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
79.26
Supplementary Information
Details werden geladen…
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