Name: ethyl 2-[(2′-cyano-2-nitrobiphenyl-4-yl)methyl]-3-oxohexanoate
SMILES:
CCCC(=O)C(Cc1ccc(-c2ccccc2C#N)c([N+](=O)[O-])c1)C(=O)OCCMolecular Processing
Molecular formula
C22H22N2O5
Molecular weight
394.43
Exact mass
394.1529
XLogP
4.22
TPSA
110.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
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
0.318
Molar refractivity
106.99
Supplementary Information
Details werden geladen…
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