이름: ethyl 4,4,4-trifluoro-3-methyl-2-{4-[(5-oxo-2-phenyl-5,6-dihydro-4H-1,3,4-oxadiazin-4-yl)methyl]phenyl}butanoate
SMILES:
CCOC(=O)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C(C)C(F)(F)FMolecular Processing
Molecular formula
C23H23F3N2O4
Molecular weight
448.44
Exact mass
448.161
XLogP
4.25
TPSA
68.2
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
110.52
Supplementary Information
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