Name: ethyl 4-(2,3-dihydro-6-methyl-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-(4'-iodobutyl)-4-methyl-3-oxo-pentanoate
SMILES:
CCOC(=O)C(CCCCI)C(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=OMolecular Processing
Molecular formula
C23H30INO5
Molecular weight
527.4
Exact mass
527.1169
XLogP
4.37
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
123.78
Supplementary Information
Details werden geladen…
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